4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8011-9911 |
| Compound Name: | 4-[11-(4-fluorophenyl)-3-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 529.52 |
| Molecular Formula: | C29 H24 F N3 O6 |
| Smiles: | C(CC(N1C(C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc12)c1ccc(cc1)F)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3821 |
| logD: | 1.4327 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.403 |
| InChI Key: | QJWJZTNUTYDFGW-UHFFFAOYSA-N |