rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one
Compound characteristics
| Compound ID: | SB46-0863 |
| Compound Name: | rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-(methanesulfonyl)octahydrocyclopenta[e][1,4]diazepin-2(1H)-one |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C20 H27 F N4 O4 S |
| Smiles: | CS(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCN(CC1)c1ccccc1F)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7916 |
| logD: | 0.7916 |
| logSw: | -2.3576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.316 |
| InChI Key: | FVFDIXRWMVNCKI-YQQAZPJKSA-N |