4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1426 |
| Compound Name: | 4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(2,4-dimethylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 522.05 |
| Molecular Formula: | C28 H32 Cl N5 O3 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1ccc(c(c1)[N+]([O-])=O)NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6923 |
| logD: | 5.4896 |
| logSw: | -5.8647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.334 |
| InChI Key: | MPDNCQSXDYZGBS-UHFFFAOYSA-N |