4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Chemical Structure Depiction of
4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Compound characteristics
| Compound ID: | V011-6488 |
| Compound Name: | 4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C31 H26 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2Cc2ccco2)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.4733 |
| logD: | 8.4723 |
| logSw: | -6.0584 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.777 |
| InChI Key: | VNISUWYHCFQUMJ-UHFFFAOYSA-N |