2-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide
Formula:C23H17N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C23H17N4OCl |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C23H17ClN4O/c24-21-14-8-7-13-20(21)23(29)26-25-15-18-16-28(19-11-5-2-6-12-19)27-22(18)17-9-3-1-4-10-17/h1-16H,(H,26,29) |
| InChIK | PASFSRINCVANRD-UHFFFAOYSA-N |
| TotalMolweight | 400.868 |
| Molweight | 400.868 |
| MonoisotopicMass | 400.109088 |
| CLogP | 4.7266 |
| CLogS | -5.97 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.89 |
| Relative PSA | 0.17377 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.9239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide | 2 - 2-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzamide
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