rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0394 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C22 H26 Cl N5 O3 |
| Smiles: | CCn1c(ccn1)C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.078 |
| logD: | 1.078 |
| logSw: | -2.6924 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.383 |
| InChI Key: | UWZPJVKKGXEMIF-JFIYKMOQSA-N |