2-cyano-3-{4-[3-(2,3-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[3-(2,3-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[3-(2,3-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0712 |
| Compound Name: | 2-cyano-3-{4-[3-(2,3-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCCCOc2cccc(C)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 2.89 |
| logSw: | -5.94 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.63 |
| InChI Key: | LJOSPFCCKBGDPS-UHFFFAOYSA-N |