3-(3,4-dimethoxyphenyl)-11-{2-[(propan-2-yl)oxy]phenyl}-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-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3404-5383 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C30 H32 N2 O4 |
| Smiles: | CC(C)Oc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5695 |
| logD: | 5.5532 |
| logSw: | -5.452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.627 |
| InChI Key: | NAJZQLGAXXCHNT-UHFFFAOYSA-N |