2-(5-{[6-(ethoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[6-(ethoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[6-(ethoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3270-0275 |
| Compound Name: | 2-(5-{[6-(ethoxycarbonyl)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C29 H24 N2 O6 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1C)SC(=C/c1ccc(c3ccccc3C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7782 |
| logD: | 1.7253 |
| logSw: | -5.4089 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.725 |
| InChI Key: | GDKPUQXPPYQERR-RUZDIDTESA-N |