1-(4-chlorophenyl)-2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V031-3434 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C18 H16 Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(C)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8282 |
| logD: | 3.8282 |
| logSw: | -4.3279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.008 |
| InChI Key: | BUBZYGKKCUMPGP-UHFFFAOYSA-N |