(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-chlorobenzamido)benzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-chlorobenzamido)benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-chlorobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-1054 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-chlorobenzamido)benzoate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C24 H21 Cl N4 O4 S |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3cccc(c3)[Cl])=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.3707 |
| logD: | 5.3445 |
| logSw: | -5.8239 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.395 |
| InChI Key: | MTRZGNRMGPFVGC-UHFFFAOYSA-N |