[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl adamantane-1-carboxylate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl adamantane-1-carboxylate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl adamantane-1-carboxylate
Compound characteristics
Compound ID: | G265-1009 |
Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl adamantane-1-carboxylate |
Molecular Weight: | 417.53 |
Molecular Formula: | C21 H27 N3 O4 S |
Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(=O)OCC1=CC(N2C(=N1)SC(CCOCC)=N2)=O |
Stereo: | ACHIRAL |
logP: | 3.9845 |
logD: | 3.9839 |
logSw: | -4.1169 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 67.314 |
InChI Key: | BSUAKHXWMJPRGK-UHFFFAOYSA-N |