methyl 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
methyl 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
methyl 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: | 4424-0148 |
| Compound Name: | methyl 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: | 548.61 |
| Molecular Formula: | C29 H28 N2 O7 S |
| Smiles: | CCOc1ccc(cc1C)C(C1C(c2ccc(cc2)OCC=C)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3657 |
| logD: | 5.2233 |
| logSw: | -5.4347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.414 |
| InChI Key: | RSIJXDUPSVRKHF-HSZRJFAPSA-N |