5-methyl-2-{4-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-{4-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-{4-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0983 |
| Compound Name: | 5-methyl-2-{4-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)CC(C)=C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3013 |
| logD: | 3.2647 |
| logSw: | -3.5594 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.116 |
| InChI Key: | NYOXDSCOBHSMEA-UHFFFAOYSA-N |