6-bromo-3-[5-(4-bromophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-bromo-3-[5-(4-bromophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenylquinolin-2(1H)-one
6-bromo-3-[5-(4-bromophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0590-0435 |
| Compound Name: | 6-bromo-3-[5-(4-bromophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 685.46 |
| Molecular Formula: | C35 H31 Br2 N3 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(N1C(CC(C2=C(c3ccccc3)c3cc(ccc3NC2=O)[Br])=N1)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.5251 |
| logD: | 9.4875 |
| logSw: | -6.2736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.754 |
| InChI Key: | JAYBJUKDQYKDGV-HOGYSOIISA-N |