N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)quinazolin-4-amine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)quinazolin-4-amine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)quinazolin-4-amine
Compound characteristics
| Compound ID: | 4358-4595 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitrophenyl)quinazolin-4-amine |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C22 H16 N4 O4 |
| Smiles: | C1COc2cc(ccc2O1)Nc1c2ccccc2nc(c2ccc(cc2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9189 |
| logD: | 4.8603 |
| logSw: | -5.2635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.01 |
| InChI Key: | OLLKQDHIILBJCK-UHFFFAOYSA-N |