rel-(9aR,13aS)-N-[(4-methylphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-[(4-methylphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-[(4-methylphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0219 |
| Compound Name: | rel-(9aR,13aS)-N-[(4-methylphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | Cc1ccc(CNC(N2CCCCCCNC([C@@H]3CCCC[C@H]23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2804 |
| logD: | 3.2804 |
| logSw: | -3.2908 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.651 |
| InChI Key: | FYPTWEVTYBOUPQ-UXHICEINSA-N |