2-(benzylamino)-5-oxo-N-[(pyridin-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(benzylamino)-5-oxo-N-[(pyridin-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
2-(benzylamino)-5-oxo-N-[(pyridin-2-yl)methyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-3998 |
| Compound Name: | 2-(benzylamino)-5-oxo-N-[(pyridin-2-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: | C(c1ccccc1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(NCc2ccccn2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2826 |
| logD: | 2.2638 |
| logSw: | -3.1407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.145 |
| InChI Key: | SHJQHJKFMSADEM-UHFFFAOYSA-N |