2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C355-0925 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C19 H22 N4 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2cc(c(c(c2)OC)OC)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.23 |
| logD: | 0.88 |
| logSw: | -4.11 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.94 |
| InChI Key: | NKINNMDFWHWAAO-UHFFFAOYSA-N |