3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1392 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C26 H25 Cl N4 O5 S |
| Smiles: | Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(CC=C)cc2OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.98 |
| logD: | 3.03 |
| logSw: | -6 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 175.56 |
| InChI Key: | XMCFDRBOYQIFBN-UHFFFAOYSA-N |