N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0541 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyanoacrylamide |
| Molecular Weight: | 543.04 |
| Molecular Formula: | C26 H27 Cl N4 O5 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(cc2)OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 4.3 |
| logSw: | -7.3 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.33 |
| InChI Key: | WMPDHMKXXBWQAI-UHFFFAOYSA-N |