1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0794 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C22 H21 F3 N4 O2 |
| Smiles: | COc1cccc(CC(N2CC(C[C@H]2c2nncn2Cc2ccc(cc2)F)(F)F)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.0968 |
| logD: | 3.0968 |
| logSw: | -3.1515 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.981 |
| InChI Key: | IGFCZMLULQUJHA-IBGZPJMESA-N |