(1S,13S,16S,18S)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione
PubChem CID: 145954856
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4169326, BDBM50278095 |
|---|---|
| Topological Polar Surface Area | 68.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 681.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,13S,16S,18S)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C19H20N2O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ISRFYBUYCFSHKJ-OEOBASRBSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.69 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.878 |
| Compound Name | (1S,13S,16S,18S)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.137 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.828412830769232 |
| Inchi | InChI=1S/C19H20N2O5/c1-20-15-6-10(24-3)4-5-19(15)12-8-14-13(25-9-26-14)7-11(12)17(22)21(2)16(19)18(20)23/h4-5,7-8,10,15-16H,6,9H2,1-3H3/t10-,15+,16-,19+/m1/s1 |
| Smiles | CN1[C@H]2C[C@@H](C=C[C@@]23[C@@H](C1=O)N(C(=O)C4=CC5=C(C=C34)OCO5)C)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Source_db:cmaup_ingredients