3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3681-3092 |
| Compound Name: | 3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-methyl-2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC(C(=C\c1ccc(c2ccc(cc2)[Br])o1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0579 |
| logD: | 4.5867 |
| logSw: | -5.4333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.338 |
| InChI Key: | IAKPGVXJDMFKLS-UHFFFAOYSA-N |