2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0625 |
| Compound Name: | 2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cc(C)cc(C)c2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.51 |
| logD: | 2.15 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.63 |
| InChI Key: | YVZJNJZTATXQCF-UHFFFAOYSA-N |