4-[5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V011-6413 |
| Compound Name: | 4-[5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 462.62 |
| Molecular Formula: | C29 H26 N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CC=C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.8336 |
| logD: | 7.8327 |
| logSw: | -6.1944 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.278 |
| InChI Key: | WTBLYNOUOMNALX-UHFFFAOYSA-N |