3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0680 |
| Compound Name: | 3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(CC=C)c(c(c2)OC)OCCOc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.34 |
| logD: | 4.43 |
| logSw: | -7.61 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.41 |
| InChI Key: | YGFRDPOPPNVHBI-UHFFFAOYSA-N |