rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(2-phenoxyethyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(2-phenoxyethyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(2-phenoxyethyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0256 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(oxane-4-carbonyl)-2-oxo-N-(2-phenoxyethyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C23 H31 N3 O5 |
| Smiles: | C1COCCC1C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCCOc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4078 |
| logD: | 1.4078 |
| logSw: | -1.923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.655 |
| InChI Key: | DFOUZJLYPMCMHM-NSHGMRRFSA-N |