ethyl 1-[2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
ethyl 1-[2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K284-7808 |
| Compound Name: | ethyl 1-[2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 507.57 |
| Molecular Formula: | C25 H25 N5 O5 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1OC)=N3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9777 |
| logD: | 2.8814 |
| logSw: | -3.4858 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.201 |
| InChI Key: | CHWXTBBSMTYINQ-UHFFFAOYSA-N |