4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-1656 |
| Compound Name: | 4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 562.47 |
| Molecular Formula: | C27 H29 Cl F N5 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1F)NC(c1ccc(c(c1)[N+]([O-])=O)NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6612 |
| logD: | 5.3356 |
| logSw: | -5.9189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.031 |
| InChI Key: | HKZWSVUSGXAONG-UHFFFAOYSA-N |