4-butoxy-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
4-butoxy-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2628-3159 |
| Compound Name: | 4-butoxy-N-{1-[4-(dimethylamino)phenyl]-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C28 H30 N4 O5 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C\c1ccc(cc1)N(C)C)\C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7232 |
| logD: | 5.4053 |
| logSw: | -5.3775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.858 |
| InChI Key: | JJWAXBBMWWJIEK-UHFFFAOYSA-N |