2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V031-3446 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 357.86 |
| Molecular Formula: | C18 H16 Cl N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(C)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.798 |
| logD: | 3.798 |
| logSw: | -4.2585 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.008 |
| InChI Key: | PLPWQQJGVHITPN-UHFFFAOYSA-N |