5-methyl-2-(3-nitro-4-{[2-(pyridin-2-yl)ethyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-(3-nitro-4-{[2-(pyridin-2-yl)ethyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-(3-nitro-4-{[2-(pyridin-2-yl)ethyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0774 |
| Compound Name: | 5-methyl-2-(3-nitro-4-{[2-(pyridin-2-yl)ethyl]amino}phenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCCc1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0674 |
| logD: | 3.0651 |
| logSw: | -3.4534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.074 |
| InChI Key: | GZRBPYLQHOXXEE-UHFFFAOYSA-N |