4-[11-(3,4-dimethoxyphenyl)-1-oxo-3-phenyl-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-(3,4-dimethoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(3,4-dimethoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5236-0155 |
| Compound Name: | 4-[11-(3,4-dimethoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C31 H30 N2 O6 |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3137 |
| logD: | 1.3643 |
| logSw: | -4.2622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.282 |
| InChI Key: | PQRIYVITRYNSCS-UHFFFAOYSA-N |