3-(3,4-dimethoxyphenyl)-11-(4-ethylphenyl)-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-ethylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(4-ethylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0001 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(4-ethylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C29 H30 N2 O3 |
| Smiles: | CCc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7041 |
| logD: | 5.6878 |
| logSw: | -5.4889 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.737 |
| InChI Key: | DYVDWEJZXRTCHQ-UHFFFAOYSA-N |