prop-2-en-1-yl 2-[1-(3-hydroxyphenyl)-7-methyl-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-hydroxyphenyl)-7-methyl-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-hydroxyphenyl)-7-methyl-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: | 6872-3513 |
| Compound Name: | prop-2-en-1-yl 2-[1-(3-hydroxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C26 H20 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3cccc(c3)O)N(C(C=1O2)=O)c1nc(C)c(C(=O)OCC=C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5255 |
| logD: | 4.4976 |
| logSw: | -4.1716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.184 |
| InChI Key: | XJLZFKZZCVUKMQ-HXUWFJFHSA-N |