ethyl 1-[2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
ethyl 1-[2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C200-3929 |
| Compound Name: | ethyl 1-[2-(benzylamino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc2C(N3C(=Nc2c1)SC(NCc1ccccc1)=N3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4361 |
| logD: | 2.4173 |
| logSw: | -3.1286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.591 |
| InChI Key: | IMRFSLNFJARAPM-UHFFFAOYSA-N |