1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S970-0743 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C23 H24 F2 N4 O2 |
| Smiles: | COc1ccccc1CCC(N1CC(C[C@H]1c1nncn1Cc1ccccc1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3884 |
| logD: | 3.3884 |
| logSw: | -3.5539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.068 |
| InChI Key: | DVFNVNRNWIDGBR-LJQANCHMSA-N |