(2-butyl-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-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2H-1,3-benzodioxole-5-carboxylate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | G265-0294 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C18 H17 N3 O5 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.679 |
| logD: | 3.6781 |
| logSw: | -3.9078 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.419 |
| InChI Key: | LLDKQIYFXVTAPL-UHFFFAOYSA-N |