N-(4-acetylphenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetylphenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-1360 |
| Compound Name: | N-(4-acetylphenyl)-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 460.56 |
| Molecular Formula: | C24 H24 N6 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2ccc(C)cc2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8031 |
| logD: | 2.8029 |
| logSw: | -3.3251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.111 |
| InChI Key: | YADPMQRLGWNQMU-UHFFFAOYSA-N |