N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
Formula:C20H22N4OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide |
| MolecularFormula | C20H22N4OF2 |
| Smiles | O=C(CCN(CC1)CCN1c1ccccc1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C20H22F2N4O/c21-17-7-6-16(19(22)14-17)15-23-24-20(27)8-9-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-7,14-15H,8-13H2,(H,24,27) |
| InChIK | HUHANANFDHUHPY-UHFFFAOYSA-N |
| TotalMolweight | 372.418 |
| Molweight | 372.418 |
| MonoisotopicMass | 372.176167 |
| CLogP | 3.2809 |
| CLogS | -3.986 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.35 |
| Relative PSA | 0.14899 |
| PolarSurfaceArea | 47.94 |
| Druglikeness | 8.9418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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