4-hydroxy-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
Formula:C21H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C21H16N4O2S |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O |
| InChI | InChI=1S/C21H16N4O2S/c26-18-10-8-15(9-11-18)21(27)23-22-13-16-14-25(17-5-2-1-3-6-17)24-20(16)19-7-4-12-28-19/h1-14,26H,(H,23,27) |
| InChIK | PTFGTPOJCGXMIE-UHFFFAOYSA-N |
| TotalMolweight | 388.45 |
| Molweight | 388.45 |
| MonoisotopicMass | 388.099396 |
| CLogP | 3.7984 |
| CLogS | -4.859 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 296.76 |
| Relative PSA | 0.29421 |
| PolarSurfaceArea | 107.75 |
| Druglikeness | 7.2084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-hydroxy-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide | 2 - 4-hydroxy-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off