prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0345 |
| Compound Name: | prop-2-en-1-yl 4-methyl-2-{1-[3-(3-methylbutoxy)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C30 H28 N2 O6 S |
| Smiles: | CC(C)CCOc1cccc(c1)C1C2=C(C(N1c1nc(C)c(C(=O)OCC=C)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2955 |
| logD: | 6.2955 |
| logSw: | -5.6355 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.984 |
| InChI Key: | SOIZLEOKGXOMSI-XMMPIXPASA-N |