6-ethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-ethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
6-ethyl-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9979 |
| Compound Name: | 6-ethyl-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(c2cc(CC)ccc2O1)=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5361 |
| logD: | 4.5356 |
| logSw: | -4.3769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | AHFLQLTZWRDCNC-UHFFFAOYSA-N |