2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 3379-1109 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C23 H15 N3 O5 |
| Smiles: | C1Oc2ccc(/C=C/C3=Nc4ccccc4C(N3c3ccc(cc3)[N+]([O-])=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0176 |
| logD: | 4.0173 |
| logSw: | -4.4138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.091 |
| InChI Key: | OYBFHOUTALXJRV-UHFFFAOYSA-N |