N-butyl-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-butyl-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0145 |
| Compound Name: | N-butyl-2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 324.83 |
| Molecular Formula: | C14 H17 Cl N4 O S |
| Smiles: | CCCCNC(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4644 |
| logD: | 1.2727 |
| logSw: | -3.4468 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.058 |
| InChI Key: | WQPVJWAYJBJPQJ-UHFFFAOYSA-N |