ethyl 2-[3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-5-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-5-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-5-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0552 |
| Compound Name: | ethyl 2-[3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-2-oxo-5-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 576.67 |
| Molecular Formula: | C31 H32 N2 O7 S |
| Smiles: | CCCOc1ccc(cc1)C1C(=C(C(N1c1nc(C)c(C(=O)OCC)s1)=O)O)C(c1ccc(c(C)c1)OCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6501 |
| logD: | 6.5077 |
| logSw: | -5.6533 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.288 |
| InChI Key: | OHRIIWWCPMGOKN-RUZDIDTESA-N |