2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)ethan-1-one
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-5596 |
| Compound Name: | 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)ethan-1-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | Cc1ccc(c(c1)C(CSc1nnc(Nc2ccccc2)n1c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.3618 |
| logD: | 5.3563 |
| logSw: | -5.0148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.599 |
| InChI Key: | YCAWYULATSGHDE-UHFFFAOYSA-N |