N-[(Z)-(2-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C23H16N4O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C23H16N4O2BrClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C23H16BrClN4O2S/c24-19-7-3-1-5-15(19)13-26-28-21(30)14-32-23-27-20-8-4-2-6-18(20)22(31)29(23)17-11-9-16(25)10-12-17/h1-13H,14H2,(H,28,30) |
| InChIK | OWTPUQJTNAOKEG-UHFFFAOYSA-N |
| TotalMolweight | 527.829 |
| Molweight | 527.829 |
| MonoisotopicMass | 525.986584 |
| CLogP | 5.5417 |
| CLogS | -7.695 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 349.57 |
| Relative PSA | 0.23343 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 3.9608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off