4-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5002 |
| Compound Name: | 4-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C21 H14 Cl N5 S |
| Salt: | not_available |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nnc(c2cccnc2)n1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8947 |
| logD: | 3.8905 |
| logSw: | -4.4534 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.287 |
| InChI Key: | HYAZAIBNKVJHCW-UHFFFAOYSA-N |