3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0446 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 507.55 |
| Molecular Formula: | C23 H17 N5 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2cn(Cc3ccc4c(c3)OCO4)c3ccccc23)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.23 |
| logD: | 0.45 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 239.08 |
| InChI Key: | UCERIBSYDPEXMZ-UHFFFAOYSA-N |