2-cyano-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0145 |
| Compound Name: | 2-cyano-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C25 H23 N5 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)OCCn1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.55 |
| logD: | 1.76 |
| logSw: | -4.75 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.6 |
| InChI Key: | IIUPKQSEHAZPTB-UHFFFAOYSA-N |