rel-(9aR,13aS)-N-methyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-methyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-methyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0226 |
| Compound Name: | rel-(9aR,13aS)-N-methyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 281.4 |
| Molecular Formula: | C15 H27 N3 O2 |
| Smiles: | CNC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.5731 |
| logD: | 1.5731 |
| logSw: | -2.1521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.073 |
| InChI Key: | BWRCWYLNHMCACF-OLZOCXBDSA-N |