rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-methyl-2-oxo-N-[(pyridin-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-methyl-2-oxo-N-[(pyridin-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-methyl-2-oxo-N-[(pyridin-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0773 |
| Compound Name: | rel-(5aR,7S,8aR)-4-(methanesulfonyl)-N-methyl-2-oxo-N-[(pyridin-3-yl)methyl]decahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C17 H24 N4 O4 S |
| Smiles: | CN(Cc1cccnc1)C([C@H]1C[C@@H]2CN(CC(N[C@@H]2C1)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4785 |
| logD: | -0.479 |
| logSw: | -1.669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.376 |
| InChI Key: | XSKOFULPCBNCLK-SOUVJXGZSA-N |