(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[2-(3-methylphenoxy)acetamido]benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[2-(3-methylphenoxy)acetamido]benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[2-(3-methylphenoxy)acetamido]benzoate
Compound characteristics
| Compound ID: | G357-0196 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[2-(3-methylphenoxy)acetamido]benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccccc3NC(COc3cccc(C)c3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5526 |
| logD: | 3.5372 |
| logSw: | -3.8145 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.252 |
| InChI Key: | BNQAVIRVEWGMSH-UHFFFAOYSA-N |