4-[3-(4-fluorophenyl)-11-(5-nitrofuran-2-yl)-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-[3-(4-fluorophenyl)-11-(5-nitrofuran-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-fluorophenyl)-11-(5-nitrofuran-2-yl)-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: | 4038-0051 |
| Compound Name: | 4-[3-(4-fluorophenyl)-11-(5-nitrofuran-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 519.49 |
| Molecular Formula: | C27 H22 F N3 O7 |
| Smiles: | C(CC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc12)c1ccc([N+]([O-])=O)o1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7513 |
| logD: | 0.8019 |
| logSw: | -4.0495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.682 |
| InChI Key: | FOKFABPMITUVQY-UHFFFAOYSA-N |