2-{4-[benzyl(2-phenylethyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[benzyl(2-phenylethyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[benzyl(2-phenylethyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0079 |
| Compound Name: | 2-{4-[benzyl(2-phenylethyl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C29 H29 N3 O4 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N(CCc1ccccc1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8987 |
| logD: | 4.8987 |
| logSw: | -4.8688 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.574 |
| InChI Key: | MELCDGKOGWOLDL-UHFFFAOYSA-N |