4-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V010-9497 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 432.93 |
| Molecular Formula: | C23 H17 Cl N4 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccccc2[Cl])nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.775 |
| logD: | 4.7749 |
| logSw: | -4.9074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.098 |
| InChI Key: | DCBKCPVLUXVXGS-UHFFFAOYSA-N |