methyl 2-{3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoate
methyl 2-{3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 1187-2044 |
| Compound Name: | methyl 2-{3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamido}benzoate |
| Molecular Weight: | 451.27 |
| Molecular Formula: | C22 H15 Br N2 O4 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(c2ccc(cc2)[Br])o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4939 |
| logD: | 4.0877 |
| logSw: | -5.531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.432 |
| InChI Key: | JKKPYILZLKHLQA-UHFFFAOYSA-N |