N-[(Z)-benzylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
Formula:C22H27N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide |
| MolecularFormula | C22H27N4OClS |
| Smiles | O=C(CSCCCN(CC1)CCN1c1cccc(Cl)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H27ClN4OS/c23-20-8-4-9-21(16-20)27-13-11-26(12-14-27)10-5-15-29-18-22(28)25-24-17-19-6-2-1-3-7-19/h1-4,6-9,16-17H,5,10-15,18H2,(H,25,28) |
| InChIK | QJDZJZIMCMNCIN-UHFFFAOYSA-N |
| TotalMolweight | 431.002 |
| Molweight | 431.002 |
| MonoisotopicMass | 430.159408 |
| CLogP | 4.3315 |
| CLogS | -4.701 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.08 |
| Relative PSA | 0.17978 |
| 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 | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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