3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | 3490-5437 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-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: | 515.52 |
| Molecular Formula: | C28 H25 N3 O7 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5648 |
| logD: | 4.5485 |
| logSw: | -4.411 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.934 |
| InChI Key: | NMRUPRKQZFLKFN-UHFFFAOYSA-N |