(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2-phenylbutanamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2-phenylbutanamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2-phenylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0073 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2-phenylbutanamido)benzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2274 |
| logD: | 4.2211 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.664 |
| InChI Key: | FSBBQNNDVNRFBF-HXUWFJFHSA-N |