3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
Formula:C21H25N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide |
| MolecularFormula | C21H25N4OCl |
| Smiles | O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H25ClN4O/c22-20-8-6-18(7-9-20)16-23-24-21(27)10-11-25-12-14-26(15-13-25)17-19-4-2-1-3-5-19/h1-9,16H,10-15,17H2,(H,24,27) |
| InChIK | JFXUEXCGLHRXOU-UHFFFAOYSA-N |
| TotalMolweight | 384.91 |
| Molweight | 384.91 |
| MonoisotopicMass | 384.171688 |
| CLogP | 3.6082 |
| CLogS | -3.572 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.83 |
| Relative PSA | 0.14096 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 10.525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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