2-(5-{[5-(2H-1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[5-(2H-1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[5-(2H-1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
Compound ID: | 8007-4012 |
Compound Name: | 2-(5-{[5-(2H-1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid |
Molecular Weight: | 558.57 |
Molecular Formula: | C29 H22 N2 O8 S |
Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1C)SC(=C/c1ccc(c3ccccc3C(O)=O)o1)\C2=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0197 |
logD: | 0.9668 |
logSw: | -4.4082 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.841 |
InChI Key: | BLLNFNZBROFLQF-RUZDIDTESA-N |