3-(5-{[5-(2-bromo-4,5-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
3-(5-{[5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[5-(2-bromo-4,5-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: | 8009-2231 |
| Compound Name: | 3-(5-{[5-(2-bromo-4,5-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: | 653.51 |
| Molecular Formula: | C30 H25 Br N2 O8 S |
| Smiles: | CCOC(C1C(c2cc(c(cc2[Br])OC)OC)N2C(=NC=1C)SC(=C/c1ccc(c3cccc(c3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6538 |
| logD: | 2.1411 |
| logSw: | -5.3033 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.986 |
| InChI Key: | ZOYFQDSRAOSRQI-SANMLTNESA-N |