methyl 2-(4-chloroanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
methyl 2-(4-chloroanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F127-0050 |
| Compound Name: | methyl 2-(4-chloroanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate |
| Molecular Weight: | 386.81 |
| Molecular Formula: | C17 H11 Cl N4 O3 S |
| Smiles: | COC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccc(cc1)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7608 |
| logD: | 3.5761 |
| logSw: | -4.3785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | AZEZENZYLJNHGR-UHFFFAOYSA-N |