3-[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-indol-3-yl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-indol-3-yl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-indol-3-yl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0834 |
| Compound Name: | 3-[1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-indol-3-yl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 535.6 |
| Molecular Formula: | C25 H21 N5 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2c3ccccc3n(Cc3ccc4c(c3)OCO4)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 2.35 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.95 |
| InChI Key: | ZLMPNMKOGGKIJL-UHFFFAOYSA-N |