4-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
4-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K784-1449 |
| Compound Name: | 4-({3-[ethyl(3-methylphenyl)amino]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 500.52 |
| Molecular Formula: | C26 H27 F3 N4 O3 |
| Smiles: | CCN(CCCNc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)C(F)(F)F)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.5233 |
| logD: | 6.5175 |
| logSw: | -5.6496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.778 |
| InChI Key: | LEMQYCBVZGNSFL-UHFFFAOYSA-N |