rel-(9aR,13aS)-9-oxo-N-(2-phenylethyl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-9-oxo-N-(2-phenylethyl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-9-oxo-N-(2-phenylethyl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0221 |
| Compound Name: | rel-(9aR,13aS)-9-oxo-N-(2-phenylethyl)tetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C22 H33 N3 O2 |
| Smiles: | C1CCCN(C(NCCc2ccccc2)=O)[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RELATIVE |
| logP: | 3.2736 |
| logD: | 3.2736 |
| logSw: | -3.319 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.493 |
| InChI Key: | PPNHRHHNAMKVEG-UXHICEINSA-N |