4-[11-{2-[(butan-2-yl)oxy]phenyl}-3-(3,4-dimethoxyphenyl)-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-{2-[(butan-2-yl)oxy]phenyl}-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-{2-[(butan-2-yl)oxy]phenyl}-3-(3,4-dimethoxyphenyl)-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: | 5236-0235 |
| Compound Name: | 4-[11-{2-[(butan-2-yl)oxy]phenyl}-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 598.7 |
| Molecular Formula: | C35 H38 N2 O7 |
| Smiles: | CCC(C)Oc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5964 |
| logD: | 2.647 |
| logSw: | -5.2576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.054 |
| InChI Key: | XCWQBYPGBWDIQW-UHFFFAOYSA-N |