6-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-9971 |
| Compound Name: | 6-chloro-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C21 H16 Cl N3 O3 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1ccnn1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2683 |
| logD: | 4.2678 |
| logSw: | -4.6211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.581 |
| InChI Key: | STKXECLXFPRVNY-UHFFFAOYSA-N |