2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0520 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(1-phenylethoxy)phenyl]acrylamide |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OC(C)c2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.52 |
| logD: | 2.17 |
| logSw: | -5.18 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.35 |
| InChI Key: | NIJUSSISGPKVSF-HNNXBMFYSA-N |