N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C22H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C22H18N4O2S |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H18N4O2S/c27-22(20-13-19(24-25-20)21-10-5-11-29-21)26-23-14-17-8-4-9-18(12-17)28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)(H,26,27) |
| InChIK | ZUNVBZFIPFNTCD-UHFFFAOYSA-N |
| TotalMolweight | 402.477 |
| Molweight | 402.477 |
| MonoisotopicMass | 402.115046 |
| CLogP | 4.271 |
| CLogS | -5.358 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.54 |
| Relative PSA | 0.29036 |
| PolarSurfaceArea | 107.61 |
| Druglikeness | 7.2682 |
| 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 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide | 2 - N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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