2-(4-bromoanilino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C22H18N5OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromoanilino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromoanilino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C22H18N5OBrS |
| Smiles | O=C(CNc(cc1)ccc1Br)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C22H18BrN5OS/c23-17-8-10-18(11-9-17)24-14-21(29)26-25-13-16-15-28(19-5-2-1-3-6-19)27-22(16)20-7-4-12-30-20/h1-13,15,24H,14H2,(H,26,29) |
| InChIK | RCBNREDMDMIZGU-UHFFFAOYSA-N |
| TotalMolweight | 480.389 |
| Molweight | 480.389 |
| MonoisotopicMass | 479.041541 |
| CLogP | 4.1612 |
| CLogS | -5.811 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.26 |
| Relative PSA | 0.2563 |
| PolarSurfaceArea | 99.55 |
| Druglikeness | 5.951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-bromoanilino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(4-bromoanilino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
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