5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9410 |
| Compound Name: | 5-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 497.33 |
| Molecular Formula: | C25 H18 Cl2 N2 O5 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1cc(\C=C(/C#N)C(Nc2cc(cc(c2)[Cl])[Cl])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.2726 |
| logD: | 5.0261 |
| logSw: | -6.4237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.024 |
| InChI Key: | VYOXULQDWGJCSB-UHFFFAOYSA-N |