rel-(5aR,7S,8aR)-N-[(2,4-difluorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
rel-(5aR,7S,8aR)-N-[(2,4-difluorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
rel-(5aR,7S,8aR)-N-[(2,4-difluorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | SB46-0327 |
| Compound Name: | rel-(5aR,7S,8aR)-N-[(2,4-difluorophenyl)methyl]-4-(1-ethyl-1H-pyrazole-5-carbonyl)-2-oxodecahydrocyclopenta[e][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C22 H25 F2 N5 O3 |
| Smiles: | CCn1c(ccn1)C(N1CC(N[C@@H]2C[C@H](C[C@@H]2C1)C(NCc1ccc(cc1F)F)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.8971 |
| logD: | 0.8971 |
| logSw: | -2.1679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.383 |
| InChI Key: | LFXHHNDKSNDEGT-IIDMSEBBSA-N |