(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (3,4-dimethylphenoxy)acetate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (3,4-dimethylphenoxy)acetate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (3,4-dimethylphenoxy)acetate
Compound characteristics
| Compound ID: | G265-0274 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (3,4-dimethylphenoxy)acetate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2226 |
| logD: | 4.2217 |
| logSw: | -4.2676 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.208 |
| InChI Key: | AJHWNMCQQXAXMZ-UHFFFAOYSA-N |