3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxyphenyl)-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-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3490-5536 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C29 H30 N2 O5 |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6366 |
| logD: | 4.6203 |
| logSw: | -4.137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.496 |
| InChI Key: | XXZNPQMFIQVQRH-UHFFFAOYSA-N |