4-[5-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V011-8318 |
| Compound Name: | 4-[5-{[(2,4-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C30 H30 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CCCOC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.5389 |
| logD: | 7.538 |
| logSw: | -5.94 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.621 |
| InChI Key: | YKQLOWJWRMSEDQ-UHFFFAOYSA-N |