methyl 2-(4-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(4-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(4-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
Compound ID: | K284-7694 |
Compound Name: | methyl 2-(4-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
Molecular Weight: | 382.4 |
Molecular Formula: | C18 H14 N4 O4 S |
Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccc(cc1)OC)=N3)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1485 |
logD: | 3.1397 |
logSw: | -3.7037 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.584 |
InChI Key: | NWNCUMBHYSLJST-UHFFFAOYSA-N |