methyl 2-(2,5-dimethoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(2,5-dimethoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(2,5-dimethoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K284-7780 |
| Compound Name: | methyl 2-(2,5-dimethoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C19 H16 N4 O5 S |
| Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cc(ccc1OC)OC)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1379 |
| logD: | 2.6285 |
| logSw: | -3.5636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.517 |
| InChI Key: | XILSOZFGYVYUAG-UHFFFAOYSA-N |