N-benzyl-2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | V014-2971 |
| Compound Name: | N-benzyl-2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.35 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7266 |
| logD: | 4.7266 |
| logSw: | -4.9578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.762 |
| InChI Key: | BCHQZYJHMUCRKC-UHFFFAOYSA-N |