{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-9470 |
| Compound Name: | {2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 565.66 |
| Molecular Formula: | C30 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccccc1CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.281 |
| logD: | 5.1048 |
| logSw: | -5.3212 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.874 |
| InChI Key: | GQTWVVFWZKUIMC-UHFFFAOYSA-N |