N-(4-chlorophenyl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(4-chlorophenyl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0764 |
| Compound Name: | N-(4-chlorophenyl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | [H]N(C(C1=CC(c2cc(C)c(C)cc2O1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8949 |
| logD: | 4.886 |
| logSw: | -4.9388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.148 |
| InChI Key: | CSQSHBROHRDRNI-UHFFFAOYSA-N |