ethyl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8012-7247 |
| Compound Name: | ethyl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2ccco2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5921 |
| logD: | 3.592 |
| logSw: | -3.655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.701 |
| InChI Key: | ILXKBAPEORCCKI-UHFFFAOYSA-N |