7-bromo-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D492-0097 |
| Compound Name: | 7-bromo-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 414.21 |
| Molecular Formula: | C18 H12 Br N3 O4 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccnn1Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.4492 |
| logD: | 3.4485 |
| logSw: | -3.852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.33 |
| InChI Key: | WKTIQCVXLJBJHG-UHFFFAOYSA-N |