4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-methoxyphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-methoxyphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-methoxyphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-1655 |
| Compound Name: | 4-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-N-(3-methoxyphenyl)-3-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 560.48 |
| Molecular Formula: | C27 H30 Cl N5 O4 |
| Salt: | HCl |
| Smiles: | COc1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0779 |
| logD: | 4.8648 |
| logSw: | -5.3745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.575 |
| InChI Key: | PNOYYRNKRKADHM-UHFFFAOYSA-N |