4-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
4-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3977-1306 |
| Compound Name: | 4-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C27 H24 N2 O6 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OCC=C)N2C(=NC=1C)SC(=C/c1ccc(cc1)C(O)=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8636 |
| logD: | 1.2567 |
| logSw: | -4.3267 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.573 |
| InChI Key: | REQSUAYVXAWCLC-HSZRJFAPSA-N |