rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0270 |
| Compound Name: | rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C22 H33 N3 O3 |
| Smiles: | COc1ccc(CNC(N2CCCCCCNC([C@@H]3CCCC[C@H]23)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 2.8394 |
| logD: | 2.8394 |
| logSw: | -3.0693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.195 |
| InChI Key: | ZYMPVPSLTUPMJH-UXHICEINSA-N |