2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)acrylamide
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C356-1217 |
| Compound Name: | 2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)acrylamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C17 H18 N4 O4 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.59 |
| logD: | 1.24 |
| logSw: | -4.64 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 221.54 |
| InChI Key: | HPWQJEORYVVEFT-UHFFFAOYSA-N |