4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V010-9461 |
| Compound Name: | 4-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 467.38 |
| Molecular Formula: | C23 H16 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0571 |
| logD: | 6.0571 |
| logSw: | -6.3854 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.313 |
| InChI Key: | RDHSLNUQTTULFH-UHFFFAOYSA-N |