N-[(Z)-furan-2-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
Formula:C23H24N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide |
| MolecularFormula | C23H24N4O2 |
| Smiles | O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C23H24N4O2/c28-23(25-24-17-22-7-4-16-29-22)20-10-8-19(9-11-20)18-26-12-14-27(15-13-26)21-5-2-1-3-6-21/h1-11,16-17H,12-15,18H2,(H,25,28) |
| InChIK | VNPMENWDBHZRJD-UHFFFAOYSA-N |
| TotalMolweight | 388.47 |
| Molweight | 388.47 |
| MonoisotopicMass | 388.189926 |
| CLogP | 3.5868 |
| CLogS | -4.331 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.34 |
| Relative PSA | 0.1832 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | 8.4194 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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