5-methyl-2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | K807-0733 |
Compound Name: | 5-methyl-2-{3-nitro-4-[4-(pentyloxy)anilino]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 465.55 |
Molecular Formula: | C26 H31 N3 O5 |
Smiles: | CCCCCOc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)N1C(C2CCC(C)CC2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.5124 |
logD: | 6.5124 |
logSw: | -5.3195 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.785 |
InChI Key: | WIXZLZUOPBNDOB-UHFFFAOYSA-N |