2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-1261 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C24 H24 N4 O5 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 2.02 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 241.21 |
| InChI Key: | LVCVSCMCIDBQDS-UHFFFAOYSA-N |