N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Formula:C24H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H20N4O3 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c3cc(OCc4ccccc4)ccc3)n[nH]2)=O)c1 |
| InChI | InChI=1S/C24H20N4O3/c29-20-10-4-8-18(12-20)15-25-28-24(30)23-14-22(26-27-23)19-9-5-11-21(13-19)31-16-17-6-2-1-3-7-17/h1-15,29H,16H2,(H,26,27)(H,28,30) |
| InChIK | IRLBTGLEPSCKOE-UHFFFAOYSA-N |
| TotalMolweight | 412.448 |
| Molweight | 412.448 |
| MonoisotopicMass | 412.153541 |
| CLogP | 3.9018 |
| CLogS | -5.141 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 324.95 |
| Relative PSA | 0.25872 |
| PolarSurfaceArea | 99.6 |
| Druglikeness | 5.325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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