ethyl 2-[3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0752 |
| Compound Name: | ethyl 2-[3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C30 H30 N2 O7 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C(C2=O)O)C(c2ccc(cc2C)OCC)=O)c2ccc(cc2)OCC=C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7293 |
| logD: | 5.6344 |
| logSw: | -5.413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.908 |
| InChI Key: | HJEJVGHMGKXDLQ-XMMPIXPASA-N |