3-[(4-{[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-{[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
3-[(4-{[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3969-0846 |
| Compound Name: | 3-[(4-{[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 614.67 |
| Molecular Formula: | C33 H30 N2 O8 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OC)OCc1cccc(c1)C(O)=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4915 |
| logD: | 2.594 |
| logSw: | -5.4258 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.644 |
| InChI Key: | QQINXELBGIEVQM-GDLZYMKVSA-N |