2-(3-chlorophenyl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}ethan-1-one
2-(3-chlorophenyl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S970-0418 |
| Compound Name: | 2-(3-chlorophenyl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 380.82 |
| Molecular Formula: | C18 H19 Cl F2 N4 O |
| Smiles: | C1CC1Cn1cnnc1[C@@H]1CC(CN1C(Cc1cccc(c1)[Cl])=O)(F)F |
| Stereo: | ABSOLUTE |
| logP: | 3.0527 |
| logD: | 3.0527 |
| logSw: | -3.2876 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.961 |
| InChI Key: | UBSVGBSBDUCIBI-HNNXBMFYSA-N |