5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl benzoate
Chemical Structure Depiction of
5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl benzoate
5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | 8013-9405 |
| Compound Name: | 5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl benzoate |
| Molecular Weight: | 467.31 |
| Molecular Formula: | C24 H16 Cl2 N2 O4 |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2cc(cc(c2)[Cl])[Cl])=O)cc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1852 |
| logD: | 4.9387 |
| logSw: | -6.3609 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.481 |
| InChI Key: | MRCKGJSGOSWWTQ-UHFFFAOYSA-N |