{4-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{4-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V015-5126 |
| Compound Name: | {4-[({5-benzyl-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: | C1CCN(C1)C(c1ccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1956 |
| logD: | 5.1956 |
| logSw: | -5.5757 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.703 |
| InChI Key: | HKUTVYIJEXMIJL-UHFFFAOYSA-N |