1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0855 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C20 H20 F3 N5 O2 |
| Smiles: | Cc1c(CC(N2CC(C[C@H]2c2nncn2Cc2ccc(cc2)F)(F)F)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1048 |
| logD: | 2.1048 |
| logSw: | -2.514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.476 |
| InChI Key: | HEJVFRXZXYDTLZ-KRWDZBQOSA-N |