N-methyldysideathiazole
PubChem CID: 101657549
Connections displayed (default: 10).
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| Compound Synonyms | N-methyldysideathiazole |
|---|---|
| Topological Polar Surface Area | 61.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S)-4,4,4-trichloro-N,3-dimethyl-N-[(1S,3S)-4,4,4-trichloro-3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C14H18Cl6N2OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | JECCGIIKQAYOFQ-GUBZILKMSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -4.858 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.584 |
| Compound Name | N-methyldysideathiazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 473.924 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 471.927 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 475.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.062761866666666 |
| Inchi | InChI=1S/C14H18Cl6N2OS/c1-8(13(15,16)17)6-10(12-21-4-5-24-12)22(3)11(23)7-9(2)14(18,19)20/h4-5,8-10H,6-7H2,1-3H3/t8-,9-,10-/m0/s1 |
| Smiles | C[C@@H](C[C@@H](C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients