5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0360 |
| Compound Name: | 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3632 |
| logD: | 5.3631 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.591 |
| InChI Key: | GLTPYYSJRRPUIW-IBGZPJMESA-N |