4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-1661 |
| Compound Name: | 4-{[3-(azepan-1-yl)propyl]amino}-N-(3,5-difluorophenyl)-3-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 468.93 |
| Molecular Formula: | C22 H26 F2 N4 O3 |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)CCCNc1ccc(cc1[N+]([O-])=O)C(Nc1cc(cc(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7625 |
| logD: | 4.7625 |
| logSw: | -4.5664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.102 |
| InChI Key: | DXXGXDYJXUNLTM-UHFFFAOYSA-N |