prop-2-en-1-yl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-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-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-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-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0330 |
| Compound Name: | prop-2-en-1-yl 2-{3,9-dioxo-1-[4-(propan-2-yl)phenyl]-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C28 H24 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C1C2=C(C(N1c1nc(C)c(C(=O)OCC=C)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8926 |
| logD: | 5.8926 |
| logSw: | -5.7125 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.567 |
| InChI Key: | XFOWRRNRZMUCMV-JOCHJYFZSA-N |