2-{4-[benzyl(methyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[benzyl(methyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[benzyl(methyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0786 |
| Compound Name: | 2-{4-[benzyl(methyl)amino]-3-nitrophenyl}-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N(C)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8871 |
| logD: | 3.8871 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.806 |
| InChI Key: | PTUKSPWBHCZNRF-UHFFFAOYSA-N |