2-cyano-3-{3,5-dichloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3,5-dichloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3,5-dichloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1503 |
| Compound Name: | 2-cyano-3-{3,5-dichloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 547.46 |
| Molecular Formula: | C25 H24 Cl2 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2OC)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.72 |
| logD: | 4.79 |
| logSw: | -7.63 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.79 |
| InChI Key: | DLWKDMPPLATACO-UHFFFAOYSA-N |