N-[3-{[3-(dimethylamino)propyl]amino}-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-{[3-(dimethylamino)propyl]amino}-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
N-[3-{[3-(dimethylamino)propyl]amino}-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1309-2166 |
| Compound Name: | N-[3-{[3-(dimethylamino)propyl]amino}-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C21 H23 F N4 O4 |
| Smiles: | CN(C)CCCNC(/C(=C\c1ccccc1F)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3623 |
| logD: | 2.3623 |
| logSw: | -2.9685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.937 |
| InChI Key: | FLUSMUDYLSCLCG-UHFFFAOYSA-N |