N-(4-acetamidophenyl)-3-{4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-3-{4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamide
N-(4-acetamidophenyl)-3-{4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 8013-9471 |
| Compound Name: | N-(4-acetamidophenyl)-3-{4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamide |
| Molecular Weight: | 534.41 |
| Molecular Formula: | C27 H24 Br N3 O4 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccc(cc2)NC(C)=O)=O)ccc1OCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8683 |
| logD: | 4.8666 |
| logSw: | -4.7918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.172 |
| InChI Key: | IWLSUBWJKYNREQ-UHFFFAOYSA-N |