methyl 2-[2-(4-tert-butylphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-tert-butylphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[2-(4-tert-butylphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-1113 |
| Compound Name: | methyl 2-[2-(4-tert-butylphenyl)-4-hydroxy-3-{2-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 560.67 |
| Molecular Formula: | C31 H32 N2 O6 S |
| Smiles: | Cc1cc(ccc1C(C1C(c2ccc(cc2)C(C)(C)C)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7351 |
| logD: | 6.6402 |
| logSw: | -5.6331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.204 |
| InChI Key: | WZPRDWMTJSFJHO-XMMPIXPASA-N |