ethyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-1138 |
| Compound Name: | ethyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 578.64 |
| Molecular Formula: | C30 H30 N2 O8 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C(C2=O)O)C(c2ccc(cc2C)OCC=C)=O)c2ccc(c(c2)OC)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0229 |
| logD: | 4.928 |
| logSw: | -4.6757 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.045 |
| InChI Key: | IAICEXZNVAXQLI-XMMPIXPASA-N |