3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0100 |
| Compound Name: | 3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C20 H16 N4 O4 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.39 |
| logD: | 1.03 |
| logSw: | -4.15 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.05 |
| InChI Key: | PBBSEDIRBCIPRN-UHFFFAOYSA-N |