6-nitro-3-[3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-nitro-3-[3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
6-nitro-3-[3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0800-0962 |
| Compound Name: | 6-nitro-3-[3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 485.41 |
| Molecular Formula: | C25 H15 N3 O8 |
| Smiles: | C1Oc2cc(/C=C/C(C3=C(c4ccccc4)c4cc(ccc4NC3=O)[N+]([O-])=O)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5162 |
| logD: | 2.4082 |
| logSw: | -4.4602 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.397 |
| InChI Key: | JGXQPLBWMJZWQZ-UHFFFAOYSA-N |