rel-(5aR,7S,8aR)-N-(1-benzylpiperidin-4-yl)-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-(1-benzylpiperidin-4-yl)-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-(1-benzylpiperidin-4-yl)-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0830 |
| Compound Name: | rel-(5aR,7S,8aR)-N-(1-benzylpiperidin-4-yl)-4-(methanesulfonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | CS(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NC1CCN(CC1)Cc1ccccc1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4733 |
| logD: | -1.0844 |
| logSw: | -2.3398 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.387 |
| InChI Key: | NKZLOTAMRMXYRG-CMKODMSKSA-N |