3-{4-[2-(2-allylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0056 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 493.95 |
| Molecular Formula: | C26 H24 Cl N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2CC=C)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 6.07 |
| logD: | 4.55 |
| logSw: | -7.36 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.99 |
| InChI Key: | RNHHUKKTBWFVAP-UHFFFAOYSA-N |