3-bromo-N-[3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
3-bromo-N-[3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 3772-0260 |
| Compound Name: | 3-bromo-N-[3-(4-methylanilino)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 470.28 |
| Molecular Formula: | C21 H16 Br N3 O5 |
| Smiles: | Cc1ccc(cc1)NC(/C(=C\c1ccc([N+]([O-])=O)o1)NC(c1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7246 |
| logD: | 4.5744 |
| logSw: | -4.6084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.085 |
| InChI Key: | XRCRRYAFXBJLHA-UHFFFAOYSA-N |