3-(1-benzyl-1H-indol-3-yl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(1-benzyl-1H-indol-3-yl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(1-benzyl-1H-indol-3-yl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0106 |
| Compound Name: | 3-(1-benzyl-1H-indol-3-yl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C22 H17 N5 O3 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2cn(Cc3ccccc3)c3ccccc23)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.48 |
| logD: | 0.7 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.51 |
| InChI Key: | GRRWKQKZQWPTSF-UHFFFAOYSA-N |