5-methyl-2-(3-nitro-4-{[(pyridin-2-yl)methyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-(3-nitro-4-{[(pyridin-2-yl)methyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-(3-nitro-4-{[(pyridin-2-yl)methyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-0781 |
Compound Name: | 5-methyl-2-(3-nitro-4-{[(pyridin-2-yl)methyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 394.43 |
Molecular Formula: | C21 H22 N4 O4 |
Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCc1ccccn1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8463 |
logD: | 2.8462 |
logSw: | -3.3509 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.232 |
InChI Key: | XSPJRTXBSIDRBM-UHFFFAOYSA-N |