1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0744 |
| Compound Name: | 1-[(2S)-2-(4-benzyl-4H-1,2,4-triazol-3-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 442.46 |
| Molecular Formula: | C23 H24 F2 N4 O3 |
| Smiles: | COc1cc(CC(N2CC(C[C@H]2c2nncn2Cc2ccccc2)(F)F)=O)cc(c1)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.0335 |
| logD: | 3.0335 |
| logSw: | -3.2899 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.525 |
| InChI Key: | MOPHBJDNEYYLEA-HXUWFJFHSA-N |