2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
Formula:C20H23N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C20H23N4O2Cl |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C20H23ClN4O2/c21-19-8-2-1-5-17(19)15-24-10-12-25(13-11-24)16-20(26)23-22-9-3-6-18-7-4-14-27-18/h1-9,14H,10-13,15-16H2,(H,23,26) |
| InChIK | FAIPPBJHVWAHBS-UHFFFAOYSA-N |
| TotalMolweight | 386.882 |
| Molweight | 386.882 |
| MonoisotopicMass | 386.150953 |
| CLogP | 2.3608 |
| CLogS | -3.276 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.26 |
| Relative PSA | 0.18562 |
| PolarSurfaceArea | 61.08 |
| Druglikeness | 8.8427 |
| Mutagenic | high |
| 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 | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
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