2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y500-5526 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C20 H19 F2 N5 O S |
| Smiles: | C=CCn1c(CNc2ccccc2)nnc1SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1841 |
| logD: | 3.1759 |
| logSw: | -3.3599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.153 |
| InChI Key: | FSPYJZSBRBTQRJ-UHFFFAOYSA-N |