N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3643-0303 |
| Compound Name: | N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2ncc(Cc3cccc(c3)[Cl])s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2935 |
| logD: | 4.7826 |
| logSw: | -6.0621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.943 |
| InChI Key: | YIDLYRRUHZRTAL-UHFFFAOYSA-N |