rel-(9aR,13aS)-N-cyclohexyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-cyclohexyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-cyclohexyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0207 |
| Compound Name: | rel-(9aR,13aS)-N-cyclohexyl-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 349.52 |
| Molecular Formula: | C20 H35 N3 O2 |
| Smiles: | C1CCC(CC1)NC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4555 |
| logD: | 3.4554 |
| logSw: | -3.3828 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.376 |
| InChI Key: | KSJJPEGWWNRLDR-MSOLQXFVSA-N |