3-(2,4-dichlorophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2,4-dichlorophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2,4-dichlorophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0576 |
| Compound Name: | 3-(2,4-dichlorophenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 425.29 |
| Molecular Formula: | C21 H10 Cl2 N2 O2 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O)/c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1397 |
| logD: | 6.1397 |
| logSw: | -6.3003 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.679 |
| InChI Key: | LGGNXWATTXMLAI-UHFFFAOYSA-N |