rel-(5aR,7S,8aR)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0318 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxo-N-(3-phenylpropyl)decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | CCn1c(ccn1)C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCCCc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6333 |
| logD: | 1.6333 |
| logSw: | -2.0282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.225 |
| InChI Key: | CXICWERXTHFLAL-ZCNNSNEGSA-N |