methyl 2-[3-hydroxy-5-(4-methylphenyl)-4-{3-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-{3-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-{3-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: | 4424-0517 |
| Compound Name: | methyl 2-[3-hydroxy-5-(4-methylphenyl)-4-{3-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(c(C)c1)OCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6944 |
| logD: | 5.552 |
| logSw: | -5.4505 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.291 |
| InChI Key: | KUXHZVGZUWOTPU-JOCHJYFZSA-N |