5-methyl-2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0805 |
| Compound Name: | 5-methyl-2-(4-{[(4-methylphenyl)methyl]amino}-3-nitrophenyl)hexahydro-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)NCc1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1795 |
| logD: | 4.1795 |
| logSw: | -4.3384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.689 |
| InChI Key: | SRLLGFJQRKFCTE-UHFFFAOYSA-N |