(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-propanamidobenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-propanamidobenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-propanamidobenzoate
Compound characteristics
| Compound ID: | G357-2253 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-propanamidobenzoate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | CCC(Nc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0551 |
| logD: | 4.0548 |
| logSw: | -4.1023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.47 |
| InChI Key: | OXWFLUMBOOABHP-UHFFFAOYSA-N |