2-chloro-5-(5-{[5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3270-0317 |
| Compound Name: | 2-chloro-5-(5-{[5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 609.05 |
| Molecular Formula: | C30 H25 Cl N2 O8 S |
| Smiles: | CCOC(C1C(c2cc(ccc2OC)OC)N2C(=NC=1C)SC(=C/c1ccc(c3ccc(c(c3)C(O)=O)[Cl])o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1891 |
| logD: | 1.7588 |
| logSw: | -5.7233 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.899 |
| InChI Key: | JQPKRXLABBQYBB-SANMLTNESA-N |