2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0878 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 2.23 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.2 |
| InChI Key: | NPAOJMUUMHTROG-UHFFFAOYSA-N |