(pyrrolidin-1-yl){2-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
(pyrrolidin-1-yl){2-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
(pyrrolidin-1-yl){2-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V026-7999 |
| Compound Name: | (pyrrolidin-1-yl){2-[({5-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 514.59 |
| Molecular Formula: | C25 H21 F3 N4 O S2 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(c1ccccc1CSc1nnc(c2cccs2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9184 |
| logD: | 5.9183 |
| logSw: | -6.0565 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.745 |
| InChI Key: | VEDFKLDTANEPOD-UHFFFAOYSA-N |