N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 3643-0299 |
| Compound Name: | N-{5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl}-2-cyano-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2ncc(Cc3cccc(c3)[Cl])s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6774 |
| logD: | 5.1664 |
| logSw: | -6.1544 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.226 |
| InChI Key: | ZQMJXQINZVWISG-UHFFFAOYSA-N |