ethyl 2-[3-(4-ethoxy-3-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-3-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-3-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: | 4424-0170 |
Compound Name: | ethyl 2-[3-(4-ethoxy-3-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(c(C)c2)OCC)=O)c2ccc(cc2)OCC=C)s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7854 |
logD: | 5.643 |
logSw: | -5.5146 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.994 |
InChI Key: | MHCVFDXCDPVPMU-XMMPIXPASA-N |