methyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-2-oxo-5-{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-hydroxy-4-(2-methyl-4-propoxybenzoyl)-2-oxo-5-{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-hydroxy-4-(2-methyl-4-propoxybenzoyl)-2-oxo-5-{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: | 4424-0924 |
| Compound Name: | methyl 2-[3-hydroxy-4-(2-methyl-4-propoxybenzoyl)-2-oxo-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C30 H30 N2 O7 S |
| Smiles: | CCCOc1ccc(C(C2C(c3ccc(cc3)OCC=C)N(C(C=2O)=O)c2nc(C)c(C(=O)OC)s2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9 |
| logD: | 5.8051 |
| logSw: | -5.5039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.622 |
| InChI Key: | VRFYXRFGGZFLFU-XMMPIXPASA-N |