rel-(5aR,7S,8aR)-4-(methanesulfonyl)-2-oxo-N-[(thiophen-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-2-oxo-N-[(thiophen-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-2-oxo-N-[(thiophen-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0854 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(methanesulfonyl)-2-oxo-N-[(thiophen-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C15 H21 N3 O4 S2 |
| Smiles: | CS(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccsc1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0544 |
| logD: | -0.0544 |
| logSw: | -2.3618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.14 |
| InChI Key: | ZDNNDZWHYOGSBE-RWMBFGLXSA-N |