3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
Chemical Structure Depiction of
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3270-0834 |
| Compound Name: | 3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1C)NC(C(=C\c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0741 |
| logD: | 6.0729 |
| logSw: | -6.1765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.337 |
| InChI Key: | QPLSRXVAYHNKDD-UHFFFAOYSA-N |