2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1071 |
| Compound Name: | 2-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | C1CCC(CCNc2ccc(cc2[N+]([O-])=O)N2C(C3C4CC(C=C4)C3C2=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4556 |
| logD: | 3.4556 |
| logSw: | -4.0122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.376 |
| InChI Key: | IHKMEGUQNUUTBC-UHFFFAOYSA-N |