N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | 4272-0128 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]acrylamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCCOc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 3.53 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.6 |
| InChI Key: | CTQPLULNYVUQID-UHFFFAOYSA-N |