7,8-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7,8-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
7,8-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9975 |
| Compound Name: | 7,8-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C23 H21 N3 O3 |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5727 |
| logD: | 4.5726 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.265 |
| InChI Key: | LLMXQOKKZGUAAQ-UHFFFAOYSA-N |