4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide--hydrogen chloride (1/1)
4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-1663 |
| Compound Name: | 4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(propan-2-yl)phenyl]benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 475.03 |
| Molecular Formula: | C25 H34 N4 O3 |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6384 |
| logD: | 3.6961 |
| logSw: | -5.2658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.102 |
| InChI Key: | VXEFQZNMHINXCA-UHFFFAOYSA-N |