rel-(9aR,13aS)-1-(3-methylbenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(3-methylbenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(3-methylbenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0017 |
| Compound Name: | rel-(9aR,13aS)-1-(3-methylbenzoyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 342.48 |
| Molecular Formula: | C21 H30 N2 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.2179 |
| logD: | 3.2179 |
| logSw: | -3.2505 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.508 |
| InChI Key: | SXNIMZGAIOBJHH-MOPGFXCFSA-N |