N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-4006 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 379.8 |
| Molecular Formula: | C20 H14 Cl N3 O3 |
| Smiles: | C(c1ccc(cc1)[Cl])n1cc(cn1)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2112 |
| logD: | 3.1089 |
| logSw: | -3.7773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.757 |
| InChI Key: | RUPQDEXHBOYAIQ-UHFFFAOYSA-N |