N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
Formula:C22H26N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide |
| MolecularFormula | C22H26N4OCl2S |
| Smiles | O=C(CSCCCN(CC1)CCN1c1cccc(Cl)c1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H26Cl2N4OS/c23-19-7-5-18(6-8-19)16-25-26-22(29)17-30-14-2-9-27-10-12-28(13-11-27)21-4-1-3-20(24)15-21/h1,3-8,15-16H,2,9-14,17H2,(H,26,29) |
| InChIK | ULBHXMFISJZQGM-UHFFFAOYSA-N |
| TotalMolweight | 465.447 |
| Molweight | 465.447 |
| MonoisotopicMass | 464.120435 |
| CLogP | 4.9375 |
| CLogS | -5.437 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 352.5 |
| Relative PSA | 0.17191 |
| PolarSurfaceArea | 73.24 |
| Druglikeness | 10.123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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