2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-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-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | C355-0534 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[2-(2-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(CCOc3ccccc3C)c3ccccc23)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 1.84 |
| logSw: | -4.97 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.99 |
| InChI Key: | VHYJXPRRSTXIMR-UHFFFAOYSA-N |