2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1125 |
| Compound Name: | 2-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C25 H25 N3 O6 |
| Smiles: | COc1ccc(CCNc2ccc(cc2[N+]([O-])=O)N2C(C3C4CC(C=C4)C3C2=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6022 |
| logD: | 2.6022 |
| logSw: | -3.155 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.444 |
| InChI Key: | PZWNYECBOKFSBU-UHFFFAOYSA-N |