3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4011-0685 |
| Compound Name: | 3-{4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C30 H32 N4 O4 S |
| Smiles: | COc1cc(CC=C)ccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.56 |
| logD: | 4.65 |
| logSw: | -7.11 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.43 |
| InChI Key: | MKMCJSAZSPREBV-UHFFFAOYSA-N |