2-[3-nitro-4-({[3-(trifluoromethyl)phenyl]methyl}amino)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-({[3-(trifluoromethyl)phenyl]methyl}amino)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[3-nitro-4-({[3-(trifluoromethyl)phenyl]methyl}amino)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1202 |
| Compound Name: | 2-[3-nitro-4-({[3-(trifluoromethyl)phenyl]methyl}amino)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 457.41 |
| Molecular Formula: | C23 H18 F3 N3 O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)[N+]([O-])=O)NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6645 |
| logD: | 3.6645 |
| logSw: | -4.2001 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.342 |
| InChI Key: | PGCWJGRHCYLBAU-UHFFFAOYSA-N |