2-(cyclohexylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C22H25N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(cyclohexylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(cyclohexylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C22H25N5OS |
| Smiles | O=C(CNC1CCCCC1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C22H25N5OS/c28-21(15-23-18-8-3-1-4-9-18)25-24-14-17-16-27(19-10-5-2-6-11-19)26-22(17)20-12-7-13-29-20/h2,5-7,10-14,16,18,23H,1,3-4,8-9,15H2,(H,25,28) |
| InChIK | CRLQKFNIMJZIMF-UHFFFAOYSA-N |
| TotalMolweight | 407.541 |
| Molweight | 407.541 |
| MonoisotopicMass | 407.17798 |
| CLogP | 3.283 |
| CLogS | -5.044 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.67 |
| Relative PSA | 0.26468 |
| PolarSurfaceArea | 99.55 |
| Druglikeness | 2.4728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(cyclohexylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(cyclohexylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
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