3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | 8010-5585 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 485.5 |
| Molecular Formula: | C27 H23 N3 O6 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0507 |
| logD: | 5.0344 |
| logSw: | -4.6483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.216 |
| InChI Key: | NPGAAHDIJIJNCV-UHFFFAOYSA-N |