2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Formula:C20H25N4OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H25N4OClS2 |
| Smiles | O=C(CSCCCN(CC1)CCN1c1cccc(Cl)c1)N/N=C/c1cccs1 |
| InChI | InChI=1S/C20H25ClN4OS2/c21-17-4-1-5-18(14-17)25-10-8-24(9-11-25)7-3-12-27-16-20(26)23-22-15-19-6-2-13-28-19/h1-2,4-6,13-15H,3,7-12,16H2,(H,23,26) |
| InChIK | USSWUYADMUVAMA-UHFFFAOYSA-N |
| TotalMolweight | 437.031 |
| Molweight | 437.031 |
| MonoisotopicMass | 436.115828 |
| CLogP | 4.1981 |
| CLogS | -4.711 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 333.02 |
| Relative PSA | 0.24311 |
| PolarSurfaceArea | 101.48 |
| Druglikeness | 11.07 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
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