rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0862 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(4-chlorophenyl)methyl]-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 399.89 |
| Molecular Formula: | C17 H22 Cl N3 O4 S |
| Smiles: | CS(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccc(cc1)[Cl])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7134 |
| logD: | 0.7134 |
| logSw: | -2.714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.121 |
| InChI Key: | IEZPJMAQDIMBRZ-UMVBOHGHSA-N |