methyl 2-[3,9-dioxo-1-{3-[(prop-2-en-1-yl)oxy]phenyl}-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-[3,9-dioxo-1-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[3,9-dioxo-1-{3-[(prop-2-en-1-yl)oxy]phenyl}-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0222 |
| Compound Name: | methyl 2-[3,9-dioxo-1-{3-[(prop-2-en-1-yl)oxy]phenyl}-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: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1cccc(c1)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7023 |
| logD: | 4.7022 |
| logSw: | -4.7547 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.11 |
| InChI Key: | GDGDOILIESTIFZ-HXUWFJFHSA-N |