{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-3789 |
| Compound Name: | {2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H21 F3 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0491 |
| logD: | 4.049 |
| logSw: | -4.1681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.775 |
| InChI Key: | YZTSZUVWAMZSSH-UHFFFAOYSA-N |