N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D492-0011 |
| Compound Name: | N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C22 H19 N3 O4 |
| Smiles: | [H]N(C(C1=CC(c2cc(C)ccc2O1)=O)=O)c1ccnn1Cc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.553 |
| logD: | 3.5525 |
| logSw: | -3.7826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.125 |
| InChI Key: | WJPZTSOARNYSMN-UHFFFAOYSA-N |