4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K784-1444 |
| Compound Name: | 4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 561.99 |
| Molecular Formula: | C27 H27 Cl F3 N5 O3 |
| Smiles: | C(CNc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)C(F)(F)F)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8842 |
| logD: | 5.6829 |
| logSw: | -6.181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.031 |
| InChI Key: | KVRSPLRAIFONHT-UHFFFAOYSA-N |