2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0474 |
| Compound Name: | 2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | Cc1ccc(CNc2ccc(cc2[N+]([O-])=O)N2C(C3CC=CCC3C2=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7411 |
| logD: | 3.7411 |
| logSw: | -4.0365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.689 |
| InChI Key: | AHNYDKMEVVPRHA-UHFFFAOYSA-N |