2-anilino-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide
Formula:C24H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide |
| MolecularFormula | C24H22N4O |
| Smiles | O=C(CNc1ccccc1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H22N4O/c29-24(16-25-21-11-5-2-6-12-21)27-26-15-20-18-28(17-19-9-3-1-4-10-19)23-14-8-7-13-22(20)23/h1-15,18,25H,16-17H2,(H,27,29) |
| InChIK | LHNCIIZLXNNFQY-UHFFFAOYSA-N |
| TotalMolweight | 382.466 |
| Molweight | 382.466 |
| MonoisotopicMass | 382.179361 |
| CLogP | 4.0232 |
| CLogS | -4.521 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.53 |
| Relative PSA | 0.17556 |
| PolarSurfaceArea | 58.42 |
| Druglikeness | 6.4264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]acetamide
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