4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K784-1447 |
| Compound Name: | 4-{[3-(azepan-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C23 H27 F3 N4 O3 |
| Smiles: | C1CCCN(CC1)CCCNc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1729 |
| logD: | 3.2307 |
| logSw: | -5.346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.102 |
| InChI Key: | IPNSBQZESGJGLY-UHFFFAOYSA-N |