6-methyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-methyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
6-methyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9969 |
| Compound Name: | 6-methyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C22 H19 N3 O3 |
| Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.994 |
| logD: | 3.9935 |
| logSw: | -4.2003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | KDWAOBPYVHVCEZ-UHFFFAOYSA-N |