N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0265 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C25 H25 Cl N4 O4 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.22 |
| logD: | 4.29 |
| logSw: | -7.13 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.66 |
| InChI Key: | MTYUKBKNJXETOB-UHFFFAOYSA-N |