11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8009-9572 |
| Compound Name: | 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 489.37 |
| Molecular Formula: | C26 H21 Br N2 O3 |
| Smiles: | C1C(CC(C2C(c3cc4c(cc3[Br])OCO4)Nc3ccccc3NC1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7617 |
| logD: | 5.7504 |
| logSw: | -5.8421 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.592 |
| InChI Key: | FCIMAGNJPMTITG-UHFFFAOYSA-N |