rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Compound characteristics
| Compound ID: | SB46-0798 |
| Compound Name: | rel-(5aR,7S,8aR)-7-(4-benzylpiperidine-1-carbonyl)-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CS(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCC(CC1)Cc1ccccc1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9486 |
| logD: | 1.9486 |
| logSw: | -2.5017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.085 |
| InChI Key: | PMKKYFVSQGMYHD-SLFFLAALSA-N |