N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
Formula:C26H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide |
| MolecularFormula | C26H18N4O3 |
| Smiles | O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C26H18N4O3/c31-25-19(17-33-23-14-8-7-13-21(23)25)15-27-28-26(32)22-16-30(20-11-5-2-6-12-20)29-24(22)18-9-3-1-4-10-18/h1-17H,(H,28,32) |
| InChIK | FSOUXOQPXDHNJH-UHFFFAOYSA-N |
| TotalMolweight | 434.454 |
| Molweight | 434.454 |
| MonoisotopicMass | 434.137891 |
| CLogP | 3.238 |
| CLogS | -5.784 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 333.43 |
| Relative PSA | 0.2306 |
| PolarSurfaceArea | 85.58 |
| Druglikeness | 6.2504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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