N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6049-2644 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 414.25 |
| Molecular Formula: | C20 H13 Cl2 N3 O3 |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])n1cc(cn1)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9336 |
| logD: | 3.8313 |
| logSw: | -4.3843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.757 |
| InChI Key: | QSTRLVYABJHOSM-UHFFFAOYSA-N |