methyl 2-[1-(4-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
methyl 2-[1-(4-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
methyl 2-[1-(4-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: | 6872-3361 |
| Compound Name: | methyl 2-[1-(4-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: | 462.48 |
| Molecular Formula: | C24 H18 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)O)N(C(C=1O2)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9188 |
| logD: | 3.9176 |
| logSw: | -4.1012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.31 |
| InChI Key: | XHQUDSJXVYOTDS-GOSISDBHSA-N |