3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0531 |
| Compound Name: | 3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccccc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.29 |
| logD: | 4.35 |
| logSw: | -7.19 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.27 |
| InChI Key: | WDCOQVCZPUNMKA-UHFFFAOYSA-N |