ethyl 2-[3-hydroxy-5-(4-methoxyphenyl)-4-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-hydroxy-5-(4-methoxyphenyl)-4-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[3-hydroxy-5-(4-methoxyphenyl)-4-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-1139 |
| Compound Name: | ethyl 2-[3-hydroxy-5-(4-methoxyphenyl)-4-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 548.61 |
| Molecular Formula: | C29 H28 N2 O7 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C(C2=O)O)C(c2ccc(cc2C)OCC=C)=O)c2ccc(cc2)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3427 |
| logD: | 5.2478 |
| logSw: | -5.3571 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.328 |
| InChI Key: | JKPRJFYAVIBODG-HSZRJFAPSA-N |