2-[4-(cyclohexylamino)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(cyclohexylamino)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(cyclohexylamino)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0673 |
| Compound Name: | 2-[4-(cyclohexylamino)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NC1CCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3177 |
| logD: | 4.3177 |
| logSw: | -4.2539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.415 |
| InChI Key: | LATQFWPCIRVICJ-UHFFFAOYSA-N |