ethyl 4-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolyl]amino}benzoate
ethyl 4-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolyl]amino}benzoate
Compound characteristics
| Compound ID: | C885-3595 |
| Compound Name: | ethyl 4-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)prolyl]amino}benzoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCCC1C(Nc1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5489 |
| logD: | 3.5475 |
| logSw: | -3.7111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.483 |
| InChI Key: | BHGHHIATDVPUBE-KRWDZBQOSA-N |