3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-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-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4696 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 601.66 |
| Molecular Formula: | C36 H31 N3 O6 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3cccc(c3)[N+]([O-])=O)N(C(/C=C/c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5941 |
| logD: | 6.3531 |
| logSw: | -5.6988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.008 |
| InChI Key: | GMYVIMNYUQORLQ-UHFFFAOYSA-N |