N-(4-fluorophenyl)-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
N-(4-fluorophenyl)-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0159 |
| Compound Name: | N-(4-fluorophenyl)-2-(2-methoxyanilino)-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 461.47 |
| Molecular Formula: | C23 H16 F N5 O3 S |
| Smiles: | COc1ccccc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(Nc2ccc(cc2)F)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0972 |
| logD: | 4.001 |
| logSw: | -4.3702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.891 |
| InChI Key: | GTBHMWTZZZJXBK-UHFFFAOYSA-N |