2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-1106 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)OCCOc2cccc(C)c2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 2.55 |
| logSw: | -5.54 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.38 |
| InChI Key: | NGFDOQIJWKKONP-UHFFFAOYSA-N |