(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-bromobenzamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-bromobenzamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-bromobenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0064 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-bromobenzamido)benzoate |
| Molecular Weight: | 499.34 |
| Molecular Formula: | C21 H15 Br N4 O4 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccc(cc3)[Br])=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1942 |
| logD: | 4.1614 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.664 |
| InChI Key: | ABGSUJXMLCBHBA-UHFFFAOYSA-N |