4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3561-0433 |
| Compound Name: | 4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C24 H19 F N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)N2C(=NC=1C)SC(=C/c1ccc(cc1)C(O)=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3595 |
| logD: | 0.7527 |
| logSw: | -4.1744 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.156 |
| InChI Key: | XNKILWFYEHUPLW-HXUWFJFHSA-N |