3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1059 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C24 H22 N4 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(cc2)OCc2ccc3c(c2)OCO3)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 2.46 |
| logSw: | -5.59 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 240.61 |
| InChI Key: | YWUBGWOXDVXDJW-UHFFFAOYSA-N |