2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | C355-0531 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C25 H23 N5 O4 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2cn(CCOc3cccc(C)c3)c3ccccc23)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 1.92 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.37 |
| InChI Key: | DSXQKASGQYITLJ-UHFFFAOYSA-N |