3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0100 |
| Compound Name: | 3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccccc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.42 |
| logD: | 4.49 |
| logSw: | -7.11 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.63 |
| InChI Key: | OPLBBHLNEPKLKV-UHFFFAOYSA-N |