3-(2H-1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2H-1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5259 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-[2-(benzyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C33 H28 N2 O4 |
| Smiles: | C1C(CC(C2C(c3ccccc3OCc3ccccc3)Nc3ccccc3NC1=2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9079 |
| logD: | 6.8916 |
| logSw: | -6.1185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.906 |
| InChI Key: | MPBMMLRCOQIGOS-UHFFFAOYSA-N |