N-[3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 3771-6387 |
| Compound Name: | N-[3-anilino-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 456.25 |
| Molecular Formula: | C20 H14 Br N3 O5 |
| Smiles: | C(=C(/C(Nc1ccccc1)=O)NC(c1ccc(cc1)[Br])=O)/c1ccc([N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0945 |
| logD: | 3.9319 |
| logSw: | -4.5386 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.085 |
| InChI Key: | NQAZAGDUHISKJH-UHFFFAOYSA-N |