[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2H-1,3-benzodioxole-5-carboxylate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | G265-1038 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C18 H17 N3 O6 S |
| Smiles: | CCOCCC1=NN2C(=NC(COC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.6035 |
| logD: | 2.6028 |
| logSw: | -2.9095 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.396 |
| InChI Key: | XCRWIJXNHSRFAB-UHFFFAOYSA-N |