methyl 2-{1-[4-(methoxycarbonyl)phenyl]-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-(methoxycarbonyl)phenyl]-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-(methoxycarbonyl)phenyl]-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: | 6391-0216 |
| Compound Name: | methyl 2-{1-[4-(methoxycarbonyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C25 H18 N2 O7 S |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2211 |
| logD: | 4.2211 |
| logSw: | -4.5846 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.867 |
| InChI Key: | JMTITDAFMIJOAZ-GOSISDBHSA-N |