rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide
Compound characteristics
| Compound ID: | SB46-0693 |
| Compound Name: | rel-(5aR,7S,8aR)-7-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-oxo-N-propyloctahydrocyclopenta[e][1,4]diazepine-4(1H)-carboxamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C23 H32 F N5 O3 |
| Smiles: | CCCNC(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(N1CCN(CC1)c1ccccc1F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9518 |
| logD: | 1.9518 |
| logSw: | -2.5051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.745 |
| InChI Key: | PXLIWSHVDIEEPV-ZHALLVOQSA-N |