N-benzyl-2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-0508 |
| Compound Name: | N-benzyl-2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 434.95 |
| Molecular Formula: | C23 H19 Cl N4 O S |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.942 |
| logD: | 4.942 |
| logSw: | -5.2846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.184 |
| InChI Key: | XWSKNNUAYSIQEB-UHFFFAOYSA-N |