2-{4-[(2,3-dimethylcyclohexyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[(2,3-dimethylcyclohexyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[(2,3-dimethylcyclohexyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1056 |
| Compound Name: | 2-{4-[(2,3-dimethylcyclohexyl)amino]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | CC1CCCC(C1C)Nc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4655 |
| logD: | 3.4655 |
| logSw: | -4.0128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.457 |
| InChI Key: | OVYYFDTYQHEDQW-UHFFFAOYSA-N |