1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8415-03995 |
| Compound Name: | 1-(4-methylphenyl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C18 H17 N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6604 |
| logD: | 3.6604 |
| logSw: | -3.8352 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.298 |
| InChI Key: | CTPKJVXHHPQCCL-UHFFFAOYSA-N |