N-[(Z)-furan-2-ylmethylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Formula:C22H18N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C22H18N4O3 |
| Smiles | O=C(c1cc(-c2cc(OCc3ccccc3)ccc2)n[nH]1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C22H18N4O3/c27-22(26-23-14-19-10-5-11-28-19)21-13-20(24-25-21)17-8-4-9-18(12-17)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)(H,26,27) |
| InChIK | AMAMBVNSPBHKJT-UHFFFAOYSA-N |
| TotalMolweight | 386.41 |
| Molweight | 386.41 |
| MonoisotopicMass | 386.137891 |
| CLogP | 3.4362 |
| CLogS | -5.119 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 308.29 |
| Relative PSA | 0.27597 |
| PolarSurfaceArea | 92.51 |
| Druglikeness | 5.021 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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