11-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0690 |
| Compound Name: | 11-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 545.55 |
| Molecular Formula: | C29 H27 N3 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6072 |
| logD: | 4.5909 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.651 |
| InChI Key: | ZKIRJRVAFMAOJR-UHFFFAOYSA-N |