N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1309-2151 |
| Compound Name: | N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C20 H20 Cl N3 O4 |
| Smiles: | CCCCNC(/C(=C\c1ccc(cc1)[Cl])NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.281 |
| logD: | 3.0781 |
| logSw: | -4.8263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.071 |
| InChI Key: | UFZYSPKQCLFDNH-UHFFFAOYSA-N |