ethyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0747 |
| Compound Name: | ethyl 2-[2-(4-tert-butylphenyl)-3-(4-ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C31 H34 N2 O6 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C(C2=O)O)C(c2ccc(cc2C)OCC)=O)c2ccc(cc2)C(C)(C)C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9906 |
| logD: | 6.8957 |
| logSw: | -5.5773 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.49 |
| InChI Key: | BYKXEOZUEXTFEF-XMMPIXPASA-N |