2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0912 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C18 H20 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.08 |
| logD: | 0.73 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.04 |
| InChI Key: | DDNXXLYCYWOBNR-UHFFFAOYSA-N |