N-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0125 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1ccc(C)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1106 |
| logD: | 5.0964 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.148 |
| InChI Key: | KERMVAYWEHRODU-UHFFFAOYSA-N |