6-chloro-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0226 |
| Compound Name: | 6-chloro-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | [H]N(Cc1ccc(C)cc1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9554 |
| logD: | 3.9553 |
| logSw: | -4.3341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.47 |
| InChI Key: | FLPJRVGSIUIDBO-UHFFFAOYSA-N |