N-[(Z)-benzylideneamino]-2-quinazolin-4-ylsulfanylacetamide
Formula:C17H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-quinazolin-4-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-quinazolin-4-ylsulfanylacetamide |
| MolecularFormula | C17H14N4OS |
| Smiles | O=C(CSc1ncnc2ccccc12)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H14N4OS/c22-16(21-20-10-13-6-2-1-3-7-13)11-23-17-14-8-4-5-9-15(14)18-12-19-17/h1-10,12H,11H2,(H,21,22) |
| InChIK | GSKADTIXUWAGGZ-UHFFFAOYSA-N |
| TotalMolweight | 322.391 |
| Molweight | 322.391 |
| MonoisotopicMass | 322.088831 |
| CLogP | 3.2655 |
| CLogS | -4.523 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.36 |
| Relative PSA | 0.30133 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 4.7928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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 | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-quinazolin-4-ylsulfanylacetamide | 2 - N-[(Z)-benzylideneamino]-2-quinazolin-4-ylsulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off