3-(5-{[6-(ethoxycarbonyl)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[6-(ethoxycarbonyl)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[6-(ethoxycarbonyl)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4489-6323 |
| Compound Name: | 3-(5-{[6-(ethoxycarbonyl)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 622.7 |
| Molecular Formula: | C35 H30 N2 O7 S |
| Smiles: | CCCC1=C(C(c2c(ccc3ccccc23)OC)N2C(=N1)SC(=C/c1ccc(c3cccc(c3)C(O)=O)o1)\C2=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6251 |
| logD: | 4.1124 |
| logSw: | -6.5499 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.691 |
| InChI Key: | QPULJCRQLTUXDT-HKBQPEDESA-N |