N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
Formula:C21H15N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide |
| MolecularFormula | C21H15N4OClS |
| Smiles | O=C(CSc1nc2ccccc2cc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C21H15ClN4OS/c22-21-16(11-15-6-2-4-8-18(15)25-21)12-23-26-19(27)13-28-20-10-9-14-5-1-3-7-17(14)24-20/h1-12H,13H2,(H,26,27) |
| InChIK | BLJXAYKUXHAJCS-UHFFFAOYSA-N |
| TotalMolweight | 406.896 |
| Molweight | 406.896 |
| MonoisotopicMass | 406.065508 |
| CLogP | 4.8472 |
| CLogS | -5.937 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.38 |
| Relative PSA | 0.25115 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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