2-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1146 |
| Compound Name: | 2-{4-[cyclohexyl(methyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C22 H25 N3 O4 |
| Smiles: | CN(C1CCCCC1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9362 |
| logD: | 2.9362 |
| logSw: | -3.3998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.51 |
| InChI Key: | XGOUCIKFGQJPDU-UHFFFAOYSA-N |