2-(4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1069 |
| Compound Name: | 2-(4-{[2-(2-chlorophenyl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C23 H20 Cl N3 O4 |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.922 |
| logD: | 3.922 |
| logSw: | -4.352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.183 |
| InChI Key: | VLHKPGVGAAUFNU-UHFFFAOYSA-N |