2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1146 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C17 H18 N4 O5 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.55 |
| logD: | 0.19 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.32 |
| InChI Key: | ZAYGYNHNZFKXTG-UHFFFAOYSA-N |