3-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0580 |
| Compound Name: | 3-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)cc(c1OCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1 |
| logD: | 2.74 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.64 |
| InChI Key: | NFVXDKVHLIQMKC-UHFFFAOYSA-N |