N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D491-9953 |
| Compound Name: | N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C21 H17 N3 O3 |
| Smiles: | [H]N(C(C1=Cc2ccccc2OC1=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2869 |
| logD: | 3.2822 |
| logSw: | -3.645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.684 |
| InChI Key: | OTULXXUCZQLMMF-UHFFFAOYSA-N |