6-bromo-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-bromo-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
6-bromo-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0663-0768 |
| Compound Name: | 6-bromo-3-[3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 533.33 |
| Molecular Formula: | C26 H17 Br N2 O6 |
| Smiles: | C1COc2cc(c(/C=C/C(C3=C(c4ccccc4)c4cc(ccc4NC3=O)[Br])=O)cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3992 |
| logD: | 3.3851 |
| logSw: | -4.4249 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.724 |
| InChI Key: | ALJYKMCZEQCDCE-UHFFFAOYSA-N |