11-(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-(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-(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: | 8009-7819 |
| Compound Name: | 11-(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: | 410.47 |
| Molecular Formula: | C26 H22 N2 O3 |
| Smiles: | C1C(CC(C2C(c3ccc4c(c3)OCO4)Nc3ccccc3NC1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3407 |
| logD: | 5.3244 |
| logSw: | -5.6536 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.592 |
| InChI Key: | YSGTYGQEFBNJAA-UHFFFAOYSA-N |