prop-2-en-1-yl 2-{3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-{3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
prop-2-en-1-yl 2-{3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0188 |
| Compound Name: | prop-2-en-1-yl 2-{3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2-[4-(propan-2-yl)phenyl]-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: | CCOc1ccc(cc1C)C(C1C(c2ccc(cc2)C(C)C)N(C(C=1O)=O)c1nc(C)c(C(=O)OCC=C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5948 |
| logD: | 6.4524 |
| logSw: | -5.6918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.871 |
| InChI Key: | QGTNYPHTZGXBSP-RUZDIDTESA-N |