2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0138 |
| Compound Name: | 2-cyano-3-[1-(3-methylbenzyl)-1H-indol-3-yl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | Cc1cccc(Cn2cc(/C=C(/C#N)C(Nc3nnc(s3)S(C)(=O)=O)=O)c3ccccc23)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 1.35 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.25 |
| InChI Key: | ODDKYYJCTUKVHJ-UHFFFAOYSA-N |