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 |