N-(4-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7787 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2ccc(C)cc2)n1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9264 |
| logD: | 3.9262 |
| logSw: | -3.8993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.123 |
| InChI Key: | GIIFCAJQGRMCMP-UHFFFAOYSA-N |