[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
Compound characteristics
Compound ID: | G357-3986 |
Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate |
Molecular Weight: | 478.53 |
Molecular Formula: | C24 H22 N4 O5 S |
Smiles: | CCOCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccccc3)=O)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.5273 |
logD: | 3.5234 |
logSw: | -3.7844 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.372 |
InChI Key: | LGNHCUXYTIHQFW-UHFFFAOYSA-N |