3-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0208 |
| Compound Name: | 3-{4-[3-(4-chlorophenoxy)propoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OCCCOc2ccc(cc2)[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5 |
| logD: | 2.15 |
| logSw: | -5.3 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.8 |
| InChI Key: | JBPCZDMFCZFSRQ-UHFFFAOYSA-N |