4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8013-9407 |
| Compound Name: | 4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate |
| Molecular Weight: | 481.33 |
| Molecular Formula: | C25 H18 Cl2 N2 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)C(Nc2cc(cc(c2)[Cl])[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.5628 |
| logD: | 5.3163 |
| logSw: | -6.4704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.481 |
| InChI Key: | QCSHFLVTCROPTL-UHFFFAOYSA-N |