N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-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-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0264 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1027 |
| logD: | 2.09 |
| logSw: | -2.2179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.713 |
| InChI Key: | IXAGUYKDKGNAKE-UHFFFAOYSA-N |