2-cyano-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0213 |
| Compound Name: | 2-cyano-3-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C23 H22 N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 1.19 |
| logSw: | -4.64 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.13 |
| InChI Key: | DCZVGKBLXCRRIP-UHFFFAOYSA-N |