{4-[({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(phenyl)methanone
Chemical Structure Depiction of
{4-[({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(phenyl)methanone
{4-[({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(phenyl)methanone
Compound characteristics
| Compound ID: | V011-1249 |
| Compound Name: | {4-[({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl}(phenyl)methanone |
| Molecular Weight: | 572.75 |
| Molecular Formula: | C34 H28 N4 O S2 |
| Salt: | not_available |
| Smiles: | Cc1cc2c(cc(c3cccs3)nc2cc1C)c1nnc(n1CC=C)SCc1ccc(cc1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.6096 |
| logD: | 8.6096 |
| logSw: | -5.7608 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.764 |
| InChI Key: | JFQRAKRBRSBAJT-UHFFFAOYSA-N |