7-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9973 |
| Compound Name: | 7-bromo-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C21 H16 Br N3 O3 |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4468 |
| logD: | 4.4463 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | VOWYBYDVPBVDBI-UHFFFAOYSA-N |