6-chloro-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-chloro-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
6-chloro-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0590-0530 |
| Compound Name: | 6-chloro-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 488.88 |
| Molecular Formula: | C26 H17 Cl N2 O6 |
| Smiles: | C1COc2cc(c(/C=C/C(C3=C(c4ccccc4)c4cc(ccc4NC3=O)[Cl])=O)cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2026 |
| logD: | 3.1885 |
| logSw: | -4.6279 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.724 |
| InChI Key: | LAQQMMKWKQITTH-UHFFFAOYSA-N |