N-(1-benzyl-1H-pyrazol-5-yl)-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-5-yl)-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1-benzyl-1H-pyrazol-5-yl)-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9930 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-5-yl)-7-bromo-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 424.25 |
| Molecular Formula: | C20 H14 Br N3 O3 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccnn1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0234 |
| logD: | 4.0229 |
| logSw: | -4.3269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | CJSUWNLQTPJLKQ-UHFFFAOYSA-N |