1-(4-methoxyphenyl)-2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methoxyphenyl)-2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V014-9861 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1ccccc1n1c(C)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1072 |
| logD: | 3.1072 |
| logSw: | -3.419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.251 |
| InChI Key: | LWDDZTMGQDZWAW-UHFFFAOYSA-N |