3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3855 |
| Compound Name: | 3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C23 H16 Cl N3 O4 S |
| Smiles: | COc1cc(c(cc1N/C=C(\C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0672 |
| logD: | 5.059 |
| logSw: | -5.4123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.843 |
| InChI Key: | VZOVCDNIZCPYCS-UHFFFAOYSA-N |