2-cyano-N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
2-cyano-N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3643-0355 |
| Compound Name: | 2-cyano-N-{5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C22 H17 Cl2 N3 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2ncc(Cc3cc(ccc3[Cl])[Cl])s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.984 |
| logD: | 5.473 |
| logSw: | -6.292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.943 |
| InChI Key: | KNBVKXGGWJYNTO-UHFFFAOYSA-N |