3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0146 |
| Compound Name: | 3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C22 H16 Cl N5 O3 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2cn(Cc3ccc(cc3)[Cl])c3ccccc23)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.95 |
| logD: | 1.17 |
| logSw: | -4.84 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.46 |
| InChI Key: | CABDOEPJWSXQET-UHFFFAOYSA-N |