N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-9109 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cccs2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3037 |
| logD: | 3.3035 |
| logSw: | -3.4937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.214 |
| InChI Key: | LOBLXWASDGVETP-UHFFFAOYSA-N |