methyl 2-{3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-{3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4424-0338 |
| Compound Name: | methyl 2-{3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-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: | CCCOc1ccc(cc1C)C(C1C(c2ccc(cc2)C(C)C)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8473 |
| logD: | 6.7049 |
| logSw: | -5.6268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.291 |
| InChI Key: | DJOHXYKSEGUAKQ-XMMPIXPASA-N |