6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline
Chemical Structure Depiction of
6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline
6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline
Compound characteristics
| Compound ID: | V007-5297 |
| Compound Name: | 6,7-dimethyl-4-[4-(propan-2-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(thiophen-2-yl)quinoline |
| Molecular Weight: | 524.63 |
| Molecular Formula: | C27 H23 F3 N4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c2cc(c3cccs3)nc3cc(C)c(C)cc23)nnc1SCc1c(ccc(c1F)F)F |
| Stereo: | ACHIRAL |
| logP: | 8.4146 |
| logD: | 8.4146 |
| logSw: | -6.1624 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.394 |
| InChI Key: | KJWBHZDCSNOQCQ-UHFFFAOYSA-N |