2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)acrylamide
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)acrylamide
Compound characteristics
| Compound ID: | C356-1198 |
| Compound Name: | 2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)acrylamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(C)cc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.03 |
| logD: | 1.68 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.38 |
| InChI Key: | UUGKSTSATPJIPU-UHFFFAOYSA-N |