2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]phenyl}acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C356-0667 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[3-(3-methylphenoxy)propoxy]phenyl}acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCCOc2cccc(C)c2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 2.36 |
| logSw: | -5.35 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 223.49 |
| InChI Key: | HCEJHSMYOJCFQE-UHFFFAOYSA-N |