(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butanamidobenzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butanamidobenzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butanamidobenzoate
Compound characteristics
| Compound ID: | G357-2337 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-butanamidobenzoate |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCCC(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7129 |
| logD: | 4.7127 |
| logSw: | -4.5258 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.47 |
| InChI Key: | UDZJMQCPDLYWBM-UHFFFAOYSA-N |