3-(2H-1,3-benzodioxol-5-yl)-11-(6-bromo-2H-1,3-benzodioxol-5-yl)-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-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2H-1,3-benzodioxol-5-yl)-11-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5256 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-(6-bromo-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 533.38 |
| Molecular Formula: | C27 H21 Br N2 O5 |
| Smiles: | C1C(CC(C2C(c3cc4c(cc3[Br])OCO4)Nc3ccccc3NC1=2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5521 |
| logD: | 5.5408 |
| logSw: | -5.8152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.708 |
| InChI Key: | LYSDSVPXIPAAPA-UHFFFAOYSA-N |