prop-2-en-1-yl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
prop-2-en-1-yl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0314 |
| Compound Name: | prop-2-en-1-yl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 518.54 |
| Molecular Formula: | C27 H22 N2 O7 S |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(C(N1c1nc(C)c(C(=O)OCC=C)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.319 |
| logD: | 4.3177 |
| logSw: | -4.1246 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.325 |
| InChI Key: | VEKHZCLRNRBBBO-OAQYLSRUSA-N |