propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3993-3556 |
| Compound Name: | propyl 3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C23 H20 N4 O2 |
| Salt: | HCl |
| Smiles: | CCCOC(c1cccc(c1)Nc1c2ccccc2nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8338 |
| logD: | 4.8729 |
| logSw: | -5.6407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.371 |
| InChI Key: | GROCSHUQOZDEOU-UHFFFAOYSA-N |