2-(2-methylanilino)-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2-methylanilino)-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(2-methylanilino)-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | E796-0019 |
| Compound Name: | 2-(2-methylanilino)-5-oxo-N-[(pyridin-3-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C23 H18 N6 O2 S |
| Smiles: | Cc1ccccc1NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCc2cccnc2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.5481 |
| logD: | 2.5405 |
| logSw: | -2.8713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.1 |
| InChI Key: | PNTQOGXEJDFVAG-UHFFFAOYSA-N |