3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3681-3908 |
| Compound Name: | 3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 468.26 |
| Molecular Formula: | C21 H14 Br N3 O5 |
| Smiles: | COc1ccc(cc1NC(C(=C\c1ccc(c2ccc(cc2)[Br])o1)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3609 |
| logD: | 3.7994 |
| logSw: | -5.5033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.27 |
| InChI Key: | LYKIUQFINJEEMU-UHFFFAOYSA-N |