2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[3-(2,5-dimethylphenoxy)propoxy]phenyl}-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0708 |
| Compound Name: | 2-cyano-3-{4-[3-(2,5-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)OCCCOc2cc(C)ccc2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.29 |
| logD: | 2.94 |
| logSw: | -6.02 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.35 |
| InChI Key: | NHHWHAQRVCPLRI-UHFFFAOYSA-N |