methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{3-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
methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{3-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
methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{3-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: | 4424-0534 |
| Compound Name: | methyl 2-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-{3-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: | 564.61 |
| Molecular Formula: | C29 H28 N2 O8 S |
| Smiles: | Cc1cc(ccc1OCC=C)C(C1C(c2ccc(c(c2)OC)OC)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9337 |
| logD: | 4.7912 |
| logSw: | -4.7019 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.552 |
| InChI Key: | JWDSRWSVHAWCNP-HSZRJFAPSA-N |