3-(2H-1,3-benzodioxol-5-yl)-11-(2-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5255 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C28 H26 N2 O4 |
| Smiles: | CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7126 |
| logD: | 5.6963 |
| logSw: | -5.4814 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.802 |
| InChI Key: | DPXWFDJGILDODV-UHFFFAOYSA-N |