2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C27H30N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H30N4O2 |
| Smiles | O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H30N4O2/c32-27(21-31-16-14-30(15-17-31)20-23-8-3-1-4-9-23)29-28-19-25-12-7-13-26(18-25)33-22-24-10-5-2-6-11-24/h1-13,18-19H,14-17,20-22H2,(H,29,32) |
| InChIK | JCZSFFUNQKDJSI-UHFFFAOYSA-N |
| TotalMolweight | 442.561 |
| Molweight | 442.561 |
| MonoisotopicMass | 442.236876 |
| CLogP | 3.8959 |
| CLogS | -3.907 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.17 |
| Relative PSA | 0.14746 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 8.8892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off