N-(2-chloro-5-nitrophenyl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
Chemical Structure Depiction of
N-(2-chloro-5-nitrophenyl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
N-(2-chloro-5-nitrophenyl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 3681-2898 |
| Compound Name: | N-(2-chloro-5-nitrophenyl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enamide |
| Molecular Weight: | 468.81 |
| Molecular Formula: | C21 H13 Cl N4 O7 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(\C=C(/C#N)C(Nc2cc(ccc2[Cl])[N+]([O-])=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0461 |
| logD: | 3.0532 |
| logSw: | -5.2471 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.264 |
| InChI Key: | NBUJQRXXKPAALB-UHFFFAOYSA-N |