4-[5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
Compound ID: | V003-4822 |
Compound Name: | 4-[5-{[(3,5-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: | Cc1cc(C)cc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CCCOC)c1 |
Stereo: | ACHIRAL |
logP: | 7.7243 |
logD: | 7.7234 |
logSw: | -5.9899 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.621 |
InChI Key: | QKWHTMFQNPBSNE-UHFFFAOYSA-N |