N-[(4-chlorophenyl)methyl]-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(4-chlorophenyl)methyl]-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y206-2958 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 324.83 |
| Molecular Formula: | C14 H17 Cl N4 O S |
| Smiles: | CCn1c(C)nnc1SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0691 |
| logD: | 2.069 |
| logSw: | -2.9457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.486 |
| InChI Key: | DHZCDPVESNYVIL-UHFFFAOYSA-N |