methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-0910 |
| Compound Name: | methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | COC(c1cc(c(cc1NC(CSc1nnc(c2cccnc2)n1CC=C)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9608 |
| logD: | 1.7313 |
| logSw: | -2.4255 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.623 |
| InChI Key: | SYIQABDOUKJPIY-UHFFFAOYSA-N |