2-{3-nitro-4-[(2-phenylethyl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-nitro-4-[(2-phenylethyl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-nitro-4-[(2-phenylethyl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1155 |
| Compound Name: | 2-{3-nitro-4-[(2-phenylethyl)amino]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0851 |
| logD: | 3.0851 |
| logSw: | -3.6104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.183 |
| InChI Key: | BHTGKCLCMRRIDM-UHFFFAOYSA-N |