N-[1-(4-bromophenyl)-3-{[3-(dimethylamino)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-{[3-(dimethylamino)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
N-[1-(4-bromophenyl)-3-{[3-(dimethylamino)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1501-1166 |
| Compound Name: | N-[1-(4-bromophenyl)-3-{[3-(dimethylamino)propyl]amino}-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 475.34 |
| Molecular Formula: | C21 H23 Br N4 O4 |
| Smiles: | CN(C)CCCNC(/C(=C\c1ccc(cc1)[Br])NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0497 |
| logD: | 3.0497 |
| logSw: | -3.4939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.937 |
| InChI Key: | MHHSVMIBZSGQAP-UHFFFAOYSA-N |