2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C356-1172 |
| Compound Name: | 2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)OCCOc2cccc(C)c2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.56 |
| logD: | 3.21 |
| logSw: | -6.31 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.6 |
| InChI Key: | ZZFRJBKGMOZNOQ-UHFFFAOYSA-N |