11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0045 |
| Compound Name: | 11-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C30 H29 N3 O6 |
| Smiles: | CCC(N1C(C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc12)c1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1425 |
| logD: | 4.8227 |
| logSw: | -5.0452 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.28 |
| InChI Key: | CWGLHFVUPUMWRC-UHFFFAOYSA-N |