4-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-5395 |
| Compound Name: | 4-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 427.31 |
| Molecular Formula: | C20 H12 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(C#N)cc1)Sc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0242 |
| logD: | 5.0242 |
| logSw: | -5.4072 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.347 |
| InChI Key: | RKCMLPNFEPUCFP-UHFFFAOYSA-N |