3-{4-[(benzylimino)methyl]-1-phenyl-1H-pyrazol-3-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[(benzylimino)methyl]-1-phenyl-1H-pyrazol-3-yl}-2H-1-benzopyran-2-one
3-{4-[(benzylimino)methyl]-1-phenyl-1H-pyrazol-3-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3935-0955 |
| Compound Name: | 3-{4-[(benzylimino)methyl]-1-phenyl-1H-pyrazol-3-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C26 H19 N3 O2 |
| Smiles: | C(c1ccccc1)/N=C\c1cn(c2ccccc2)nc1C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.9452 |
| logD: | 4.9452 |
| logSw: | -4.9534 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.455 |
| InChI Key: | QHMFHJZRVHGPOU-UHFFFAOYSA-N |