4-{[3-(azepan-1-yl)propyl]amino}-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[3-(azepan-1-yl)propyl]amino}-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
4-{[3-(azepan-1-yl)propyl]amino}-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-1658 |
| Compound Name: | 4-{[3-(azepan-1-yl)propyl]amino}-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C23 H29 F N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1F)NC(c1ccc(c(c1)[N+]([O-])=O)NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9499 |
| logD: | 3.0077 |
| logSw: | -4.4889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.102 |
| InChI Key: | XFVLFRIAGJBMNX-UHFFFAOYSA-N |