3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0298 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(4-methylphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C31 H32 N2 O4 |
| Smiles: | CCC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6935 |
| logD: | 5.3737 |
| logSw: | -5.4248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.898 |
| InChI Key: | XYQBTTPRQOWRMS-UHFFFAOYSA-N |