2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(4-isopropylphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(4-isopropylphenyl)acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(4-isopropylphenyl)acrylamide
Compound characteristics
| Compound ID: | C355-0910 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(4-isopropylphenyl)acrylamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(cc2)C(C)C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 2.47 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.26 |
| InChI Key: | JCDKESLABBPLIF-UHFFFAOYSA-N |