N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
Formula:C18H14N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide |
| MolecularFormula | C18H14N3OClS |
| Smiles | O=C(CSc1cccc2cccnc12)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H14ClN3OS/c19-15-8-6-13(7-9-15)11-21-22-17(23)12-24-16-5-1-3-14-4-2-10-20-18(14)16/h1-11H,12H2,(H,22,23) |
| InChIK | GIKKMLLXBZUWRG-UHFFFAOYSA-N |
| TotalMolweight | 355.848 |
| Molweight | 355.848 |
| MonoisotopicMass | 355.054609 |
| CLogP | 4.3364 |
| CLogS | -5.705 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.02 |
| Relative PSA | 0.24144 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
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