4-(5-{[5-(5-bromo-2,4-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
4-(5-{[5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[5-(5-bromo-2,4-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: | 3270-0899 |
| Compound Name: | 4-(5-{[5-(5-bromo-2,4-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(cc2OC)OC)[Br])N2C(=NC=1C)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3731 |
| logD: | 2.6453 |
| logSw: | -5.3146 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.986 |
| InChI Key: | XSDFIUVSJLOPJL-SANMLTNESA-N |