N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C21H16N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C21H16N4O3S |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C21H16N4O3S/c26-19(24-22-13-16-9-6-12-28-16)14-29-21-23-18-11-5-4-10-17(18)20(27)25(21)15-7-2-1-3-8-15/h1-13H,14H2,(H,24,26) |
| InChIK | NMRQVKWRUWTEBA-UHFFFAOYSA-N |
| TotalMolweight | 404.449 |
| Molweight | 404.449 |
| MonoisotopicMass | 404.094311 |
| CLogP | 3.3992 |
| CLogS | -5.807 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.21 |
| Relative PSA | 0.31359 |
| PolarSurfaceArea | 112.57 |
| Druglikeness | 5.5883 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off