4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-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-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-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: | 5236-0268 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 544.58 |
| Molecular Formula: | C31 H29 F N2 O6 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3ccc(cc3)F)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1723 |
| logD: | 1.2229 |
| logSw: | -4.2337 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.282 |
| InChI Key: | GFXKHJZEWASCCL-UHFFFAOYSA-N |