2-{4-[benzyl(methyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[benzyl(methyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[benzyl(methyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0124 |
| Compound Name: | 2-{4-[benzyl(methyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3587 |
| logD: | 3.3587 |
| logSw: | -3.72 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.806 |
| InChI Key: | ALAOOVLCGDFMBH-UHFFFAOYSA-N |