2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(2-phenoxyethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(2-phenoxyethoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(2-phenoxyethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C354-0720 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(2-phenoxyethoxy)phenyl]acrylamide |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.35 |
| logD: | 4.68 |
| logSw: | -5.86 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.07 |
| InChI Key: | YRRMYQMFBXYBDY-UHFFFAOYSA-N |