3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-4972 |
| Compound Name: | 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C23 H17 Cl N4 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)[Cl])SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2057 |
| logD: | 5.2057 |
| logSw: | -5.7987 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.745 |
| InChI Key: | RPPTYDBICWBZPD-UHFFFAOYSA-N |