5-[benzyl(methyl)amino]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-[benzyl(methyl)amino]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
5-[benzyl(methyl)amino]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0336 |
| Compound Name: | 5-[benzyl(methyl)amino]-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | CN(Cc1ccccc1)c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0637 |
| logD: | 4.0637 |
| logSw: | -4.2739 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.614 |
| InChI Key: | LICWJCOQCROPCG-UHFFFAOYSA-N |