3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0914 |
| Compound Name: | 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc3c(c2)OCO3)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 1.03 |
| logSw: | -4.13 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.77 |
| InChI Key: | MTBYDEIJSIDIQL-UHFFFAOYSA-N |