2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V031-3440 |
| Compound Name: | 2-{[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C18 H17 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(C)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0198 |
| logD: | 3.0198 |
| logSw: | -3.3424 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.707 |
| InChI Key: | RNUUMZZNUNZOTG-UHFFFAOYSA-N |