2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0209 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OCCCOc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.75 |
| logD: | 1.4 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.72 |
| InChI Key: | DEZCPVYLIRDPTF-UHFFFAOYSA-N |