2-anilino-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-anilino-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-anilino-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | K284-7849 |
| Compound Name: | 2-anilino-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C22 H16 N6 O2 S |
| Smiles: | C(c1cccnc1)NC(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2731 |
| logD: | 2.2683 |
| logSw: | -3.1129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.798 |
| InChI Key: | PISLYYRWZJEBLR-UHFFFAOYSA-N |