N-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C21H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C21H16N4O2S |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16N4O2S/c26-21(19-13-18(23-24-19)20-10-5-11-28-20)25-22-14-15-6-4-9-17(12-15)27-16-7-2-1-3-8-16/h1-14H,(H,23,24)(H,25,26) |
| InChIK | MSWACWYTDFXNQC-UHFFFAOYSA-N |
| TotalMolweight | 388.45 |
| Molweight | 388.45 |
| MonoisotopicMass | 388.099396 |
| CLogP | 4.3185 |
| CLogS | -6.314 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.78 |
| Relative PSA | 0.30364 |
| PolarSurfaceArea | 107.61 |
| Druglikeness | 7.4586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide | 2 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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