3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0595 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2CC=C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.5 |
| logD: | 4.57 |
| logSw: | -7.21 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.67 |
| InChI Key: | KGBXNUUSRUHZKD-UHFFFAOYSA-N |