4-[5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
Chemical Structure Depiction of
4-[5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
4-[5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline
Compound characteristics
| Compound ID: | V006-8300 |
| Compound Name: | 4-[5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-6,7-dimethyl-2-(thiophen-2-yl)quinoline |
| Molecular Weight: | 500.68 |
| Molecular Formula: | C28 H28 N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c2cc(c3cccs3)nc3cc(C)c(C)cc23)nnc1SCc1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 7.9236 |
| logD: | 7.9236 |
| logSw: | -5.974 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.024 |
| InChI Key: | HQQMMPFYKXSRFP-UHFFFAOYSA-N |