3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0055 |
| Compound Name: | 3-{3-chloro-4-[(2-fluorobenzyl)oxy]phenyl}-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 427.88 |
| Molecular Formula: | C21 H15 Cl F N3 O2 S |
| Smiles: | Cc1csc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccccc2F)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 4.18 |
| logSw: | -6.06 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.59 |
| InChI Key: | RCXSIRCWKZLBGN-UHFFFAOYSA-N |