propan-2-yl 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
propan-2-yl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
propan-2-yl 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: | 8013-3081 |
| Compound Name: | propan-2-yl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CSc1nnc(c2ccco2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6863 |
| logD: | 3.6862 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.38 |
| InChI Key: | KJEWCBUTPOMEKU-UHFFFAOYSA-N |