2-(3-chloro-4-fluoroanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(3-chloro-4-fluoroanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(3-chloro-4-fluoroanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | F127-0036 |
| Compound Name: | 2-(3-chloro-4-fluoroanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 346.77 |
| Molecular Formula: | C15 H8 Cl F N4 O S |
| Smiles: | c1ccc2c(c1)C(N1C(=N2)SC(Nc2ccc(c(c2)[Cl])F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6048 |
| logD: | 1.994 |
| logSw: | -4.1093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.867 |
| InChI Key: | VDBNSQQSIFIAON-UHFFFAOYSA-N |