3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chlorophenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0794 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chlorophenyl}-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/c2ccc(c(c2)[Cl])OCCOc2ccc(CC=C)cc2OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 3.99 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.02 |
| InChI Key: | PTBAOVNSWRQGMZ-UHFFFAOYSA-N |