(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbenzamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbenzamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0026 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbenzamido)benzoate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3cccc(C)c3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7313 |
| logD: | 3.715 |
| logSw: | -4.021 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.664 |
| InChI Key: | OROCDENZPCHQMA-UHFFFAOYSA-N |