1-(4-chlorophenyl)-2-{[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7903-4707 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 371.89 |
| Molecular Formula: | C19 H18 Cl N3 O S |
| Smiles: | Cn1c(CCc2ccccc2)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0836 |
| logD: | 4.0836 |
| logSw: | -4.604 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.274 |
| InChI Key: | TUPICZCLCKYDRJ-UHFFFAOYSA-N |