{2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-3824 |
| Compound Name: | {2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 522.59 |
| Molecular Formula: | C28 H25 F3 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6214 |
| logD: | 6.6214 |
| logSw: | -5.7334 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.727 |
| InChI Key: | PKPCWZZGWSRAFD-UHFFFAOYSA-N |