(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
Compound characteristics
| Compound ID: | G357-1188 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccccc3NC(c3cccc(C)c3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.944 |
| logD: | 4.4148 |
| logSw: | -4.6589 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.697 |
| InChI Key: | ZHUHKQQUBQNWBO-UHFFFAOYSA-N |