2-anilino-N-[3-(methylsulfanyl)phenyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-anilino-N-[3-(methylsulfanyl)phenyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-anilino-N-[3-(methylsulfanyl)phenyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | K284-7820 |
| Compound Name: | 2-anilino-N-[3-(methylsulfanyl)phenyl]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C23 H17 N5 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2959 |
| logD: | 4.2911 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.958 |
| InChI Key: | AYHXKWVKOQEIOC-UHFFFAOYSA-N |