3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-4310 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C26 H26 N4 O5 S2 |
| Smiles: | COc1cc(CC=C)ccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 4.44 |
| logSw: | -6.14 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.19 |
| InChI Key: | VPVKISFGQYIKOL-UHFFFAOYSA-N |