methyl 2-(3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-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-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-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-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-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: | 4424-0536 |
| Compound Name: | methyl 2-(3-hydroxy-4-{3-methyl-4-[(prop-2-en-1-yl)oxy]benzoyl}-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: | 560.63 |
| Molecular Formula: | C30 H28 N2 O7 S |
| Smiles: | Cc1cc(ccc1OCC=C)C(C1C(c2ccc(cc2)OCC=C)N(C(C=1O)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8042 |
| logD: | 5.6618 |
| logSw: | -5.5644 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.709 |
| InChI Key: | SFHUZFFOARXPEK-XMMPIXPASA-N |