N-tert-butyl-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-tert-butyl-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y508-3179 |
| Compound Name: | N-tert-butyl-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3081 |
| logD: | 4.308 |
| logSw: | -4.5182 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.279 |
| InChI Key: | MFTQVKQMLSQZGF-UHFFFAOYSA-N |