N-[(Z)-(2-fluorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C25H25N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C25H25N4OF |
| Smiles | O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C25H25FN4O/c26-24-9-5-4-6-22(24)18-27-28-25(31)21-12-10-20(11-13-21)19-29-14-16-30(17-15-29)23-7-2-1-3-8-23/h1-13,18H,14-17,19H2,(H,28,31) |
| InChIK | ISIBZWQWFHWSKI-UHFFFAOYSA-N |
| TotalMolweight | 416.499 |
| Molweight | 416.499 |
| MonoisotopicMass | 416.201239 |
| CLogP | 4.4989 |
| CLogS | -4.963 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329 |
| Relative PSA | 0.13103 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 7.654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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