(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
Formula:C25H25N5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine |
| MolecularFormula | C25H25N5ClS |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 |
| InChI | InChI=1S/C25H24ClN5S/c26-22-10-8-20(9-11-22)18-29-12-14-30(15-13-29)27-17-21-19-31(23-5-2-1-3-6-23)28-25(21)24-7-4-16-32-24/h1-11,16-17,19H,12-15,18H2/p+1 |
| InChIK | UZJCXYKKLOXLRZ-UHFFFAOYSA-O |
| TotalMolweight | 463.028 |
| Molweight | 463.028 |
| MonoisotopicMass | 462.151917 |
| CLogP | 2.4578 |
| CLogS | -4.826 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.56 |
| Relative PSA | 0.19328 |
| PolarSurfaceArea | 66.1 |
| Druglikeness | 5.7927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
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