3-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5432 |
| Compound Name: | 3-({[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])SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2547 |
| logD: | 6.2547 |
| logSw: | -6.4179 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.313 |
| InChI Key: | FPCFALSTRALBQF-UHFFFAOYSA-N |