2-(4-benzylpiperazin-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C21H23N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C21H23N4OF3 |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H23F3N4O/c22-21(23,24)19-8-6-17(7-9-19)14-25-26-20(29)16-28-12-10-27(11-13-28)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,26,29) |
| InChIK | VMQJJDRRNOKPMI-UHFFFAOYSA-N |
| TotalMolweight | 404.435 |
| Molweight | 404.435 |
| MonoisotopicMass | 404.182395 |
| CLogP | 3.3961 |
| CLogS | -3.344 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.11 |
| Relative PSA | 0.14083 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 2.1183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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