rel-(9aR,13aS)-N-(2-methylpropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-(2-methylpropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-(2-methylpropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0224 |
| Compound Name: | rel-(9aR,13aS)-N-(2-methylpropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 323.48 |
| Molecular Formula: | C18 H33 N3 O2 |
| Smiles: | CC(C)CNC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6364 |
| logD: | 2.6364 |
| logSw: | -2.9196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.923 |
| InChI Key: | ZFOYYIHAHAAKFO-CVEARBPZSA-N |