(4S)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
PubChem CID: 5316244
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QVGJMLNUOQHRAS-YSURMTKTSA-N |
| Fcsp3 | 0.2777777777777778 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Compound Name | (4S)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 279.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 279.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.4566589428571426 |
| Inchi | InChI=1S/C18H17NO2/c1-19-15-14(12-8-4-2-5-9-12)17(18(19)20)21-16(15)13-10-6-3-7-11-13/h2-11,14-17H,1H3/t14?,15-,16?,17?/m0/s1 |
| Smiles | CN1[C@H]2C(C(C1=O)OC2C3=CC=CC=C3)C4=CC=CC=C4 |
| Xlogp | 2.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H17NO2 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients