methyl 2-(5-chloro-2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(5-chloro-2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(5-chloro-2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F127-0057 |
| Compound Name: | methyl 2-(5-chloro-2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C18 H13 Cl N4 O4 S |
| Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(Nc1cc(ccc1OC)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7074 |
| logD: | 2.4345 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.973 |
| InChI Key: | QSYVUKGOEGHOJP-UHFFFAOYSA-N |