methyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-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)-3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0143 |
| Compound Name: | methyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-3-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C30 H32 N2 O6 S |
| Smiles: | CCOc1ccc(cc1C)C(C1C(c2ccc(cc2)C(C)(C)C)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.627 |
| logD: | 6.4846 |
| logSw: | -5.5967 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.997 |
| InChI Key: | CPGNKBXILRHJNY-HSZRJFAPSA-N |