7-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D492-0015 |
| Compound Name: | 7-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C21 H16 Br N3 O4 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccnn1Cc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0058 |
| logD: | 4.0053 |
| logSw: | -4.338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.125 |
| InChI Key: | HWDXPIREBRFXCB-UHFFFAOYSA-N |