3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Formula:C25H28N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide |
| MolecularFormula | C25H28N4O2 |
| Smiles | O=C(CCN(CC1)CCN1C(c1ccccc1)c1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C25H28N4O2/c30-24(27-26-20-23-12-7-19-31-23)13-14-28-15-17-29(18-16-28)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,25H,13-18H2,(H,27,30) |
| InChIK | NGGJOSLPYIBVRX-UHFFFAOYSA-N |
| TotalMolweight | 416.523 |
| Molweight | 416.523 |
| MonoisotopicMass | 416.221226 |
| CLogP | 3.9067 |
| CLogS | -3.778 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.6 |
| Relative PSA | 0.16899 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | 9.881 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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