4-(5-{[5-(2,3-dimethoxyphenyl)-6-(ethoxycarbonyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[5-(2,3-dimethoxyphenyl)-6-(ethoxycarbonyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[5-(2,3-dimethoxyphenyl)-6-(ethoxycarbonyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3184-0637 |
| Compound Name: | 4-(5-{[5-(2,3-dimethoxyphenyl)-6-(ethoxycarbonyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 636.68 |
| Molecular Formula: | C35 H28 N2 O8 S |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)N2C(=NC=1c1ccccc1)SC(=C/c1ccc(c3ccc(cc3)C(O)=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1578 |
| logD: | 3.43 |
| logSw: | -5.8069 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.302 |
| InChI Key: | VHUPSFHXAGRQMT-SSEXGKCCSA-N |