3-cyclohexyl-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-cyclohexyl-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]propan-1-one
3-cyclohexyl-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S970-0786 |
| Compound Name: | 3-cyclohexyl-1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C22 H27 F3 N4 O |
| Smiles: | C1CCC(CC1)CCC(N1CC(C[C@H]1c1nncn1Cc1ccc(cc1)F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1022 |
| logD: | 4.1022 |
| logSw: | -4.2506 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.63 |
| InChI Key: | DAWPUBCWFLRKLQ-IBGZPJMESA-N |