2-anilino-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
Formula:C24H21N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C24H21N5O |
| Smiles | O=C(CNc1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C24H21N5O/c30-23(17-25-21-12-6-2-7-13-21)27-26-16-20-18-29(22-14-8-3-9-15-22)28-24(20)19-10-4-1-5-11-19/h1-16,18,25H,17H2,(H,27,30) |
| InChIK | IUCUMFICPJQPJT-UHFFFAOYSA-N |
| TotalMolweight | 395.465 |
| Molweight | 395.465 |
| MonoisotopicMass | 395.17461 |
| CLogP | 3.4125 |
| CLogS | -5.056 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.69 |
| Relative PSA | 0.20429 |
| PolarSurfaceArea | 71.31 |
| Druglikeness | 6.4386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
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