ethyl 2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
ethyl 2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 3771-5846 |
| Compound Name: | ethyl 2-{2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate |
| Molecular Weight: | 431.4 |
| Molecular Formula: | C23 H17 N3 O6 |
| Smiles: | CCOC(c1ccccc1NC(C(=C\c1ccc(c2cccc(c2)[N+]([O-])=O)o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0544 |
| logD: | 3.6481 |
| logSw: | -4.619 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.393 |
| InChI Key: | VXHXNBIZFVCTCD-UHFFFAOYSA-N |