6-bromo-3-{1-[3,5-dinitro-4-(piperidin-1-yl)benzoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-bromo-3-{1-[3,5-dinitro-4-(piperidin-1-yl)benzoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
6-bromo-3-{1-[3,5-dinitro-4-(piperidin-1-yl)benzoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 1000-0974 |
| Compound Name: | 6-bromo-3-{1-[3,5-dinitro-4-(piperidin-1-yl)benzoyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 766.57 |
| Molecular Formula: | C36 H28 Br N7 O8 |
| Smiles: | C1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(N1C(CC(C2=C(c3ccccc3)c3cc(ccc3NC2=O)[Br])=N1)c1cccc(c1)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.3734 |
| logD: | 8.3359 |
| logSw: | -6.2204 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.114 |
| InChI Key: | FBJFRFJICVZTJC-GDLZYMKVSA-N |