3-(4-methylphenyl)-11-(6-nitro-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-(4-methylphenyl)-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methylphenyl)-11-(6-nitro-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: | 8014-3726 |
| Compound Name: | 3-(4-methylphenyl)-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C27 H23 N3 O5 |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4918 |
| logD: | 5.4754 |
| logSw: | -5.4145 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.673 |
| InChI Key: | LHWOTOQRFIGKNX-UHFFFAOYSA-N |