3-(3-phenylmethoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Formula:C22H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-phenylmethoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3-phenylmethoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C22H18N4O2S |
| Smiles | O=C(c1cc(-c2cc(OCc3ccccc3)ccc2)n[nH]1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C22H18N4O2S/c27-22(26-23-14-19-10-5-11-29-19)21-13-20(24-25-21)17-8-4-9-18(12-17)28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)(H,26,27) |
| InChIK | PJSVXJYTWTYHDX-UHFFFAOYSA-N |
| TotalMolweight | 402.477 |
| Molweight | 402.477 |
| MonoisotopicMass | 402.115046 |
| CLogP | 4.1141 |
| CLogS | -5.447 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.54 |
| Relative PSA | 0.29036 |
| PolarSurfaceArea | 107.61 |
| Druglikeness | 6.6199 |
| Mutagenic | none |
| 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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1 - 3-(3-phenylmethoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3-phenylmethoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
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