methyl 2-[3-hydroxy-5-(4-methylphenyl)-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
methyl 2-[3-hydroxy-5-(4-methylphenyl)-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
methyl 2-[3-hydroxy-5-(4-methylphenyl)-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: | 4424-1099 |
Compound Name: | methyl 2-[3-hydroxy-5-(4-methylphenyl)-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: | 518.59 |
Molecular Formula: | C28 H26 N2 O6 S |
Smiles: | Cc1ccc(cc1)C1C(=C(C(N1c1nc(C)c(C(=O)OC)s1)=O)O)C(c1ccc(cc1C)OCC=C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.364 |
logD: | 5.2691 |
logSw: | -5.3327 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.204 |
InChI Key: | DRMWHLXMODOXMZ-JOCHJYFZSA-N |