ethyl 3-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]amino}benzoate
ethyl 3-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C885-4632 |
| Compound Name: | ethyl 3-{[1-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(Nc1cccc(c1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8325 |
| logD: | 3.8292 |
| logSw: | -3.8622 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.423 |
| InChI Key: | MFCDDOXDOXRELA-UHFFFAOYSA-N |