2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4(3H)-one
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 3379-1083 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C23 H15 N3 O5 |
| Smiles: | C1Oc2ccc(/C=C/C3=Nc4ccccc4C(N3c3cccc(c3)[N+]([O-])=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.9672 |
| logD: | 3.967 |
| logSw: | -4.3601 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.091 |
| InChI Key: | NCFUFYBSXDUVDN-UHFFFAOYSA-N |