1-(4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | F235-1956 |
Compound Name: | 1-(4-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 309.39 |
Molecular Formula: | C17 H15 N3 O S |
Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 3.3063 |
logD: | 2.0966 |
logSw: | -3.6213 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.721 |
InChI Key: | IPBGAVIKMXQJCH-UHFFFAOYSA-N |