3-[(2-chloro-4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(2-chloro-4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
3-[(2-chloro-4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 4376-0368 |
| Compound Name: | 3-[(2-chloro-4-{[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 637.08 |
| Molecular Formula: | C32 H26 Cl F N2 O7 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)N2C(=NC=1C)SC(=C\c1cc(c(c(c1)[Cl])OCc1cccc(c1)C(O)=O)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5958 |
| logD: | 3.6983 |
| logSw: | -5.8688 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.187 |
| InChI Key: | JZSQKXIEKYJDTJ-MHZLTWQESA-N |