2-[(5-amino-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[(5-amino-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one--hydrogen bromide (1/1)
2-[(5-amino-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8019-1856 |
| Compound Name: | 2-[(5-amino-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 343.24 |
| Molecular Formula: | C12 H14 N4 O S |
| Salt: | HBr |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(N)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3537 |
| logD: | 1.3537 |
| logSw: | -2.0815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.331 |
| InChI Key: | WVYGFNUFQNVUII-UHFFFAOYSA-N |