2-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C23H18N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C23H18N5OCl |
| Smiles | Nc(cccc1)c1C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H18ClN5O/c24-18-12-10-16(11-13-18)22-17(15-29(28-22)19-6-2-1-3-7-19)14-26-27-23(30)20-8-4-5-9-21(20)25/h1-15H,25H2,(H,27,30) |
| InChIK | XZVWEMDXMNXYDL-UHFFFAOYSA-N |
| TotalMolweight | 415.883 |
| Molweight | 415.883 |
| MonoisotopicMass | 415.119987 |
| CLogP | 4.0493 |
| CLogS | -6.046 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 318.41 |
| Relative PSA | 0.21708 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 5.871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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