N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0563 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide |
| Molecular Weight: | 547.03 |
| Molecular Formula: | C28 H23 Cl N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc(c1OCCOc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.26 |
| logD: | 4.96 |
| logSw: | -7.47 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.24 |
| InChI Key: | DHCDYHYMMJBAKU-UHFFFAOYSA-N |