4-cyclohexyl-3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
4-cyclohexyl-3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
Compound ID: | V010-9339 |
Compound Name: | 4-cyclohexyl-3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole |
Molecular Weight: | 478.44 |
Molecular Formula: | C23 H25 Cl2 N3 O2 S |
Salt: | not_available |
Smiles: | COc1cc(cc(c1)OC)c1nnc(n1C1CCCCC1)SCc1ccc(cc1[Cl])[Cl] |
Stereo: | ACHIRAL |
logP: | 7.063 |
logD: | 7.063 |
logSw: | -6.66 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.633 |
InChI Key: | VLWBIMSWTUTRHZ-UHFFFAOYSA-N |