3-{3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0702 |
| Compound Name: | 3-{3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 497.01 |
| Molecular Formula: | C25 H25 Cl N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccc(c2)OCCOc2ccc(c(C)c2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.81 |
| logD: | 4.88 |
| logSw: | -7.72 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.96 |
| InChI Key: | WOGMKTYBHSVIMV-UHFFFAOYSA-N |