(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0188 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]benzoate |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9117 |
| logD: | 4.8049 |
| logSw: | -4.7486 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81 |
| InChI Key: | MKCRWUUYVAIUMC-UHFFFAOYSA-N |