N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C23H15N4O2BrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C23H15N4O2BrClFS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C23H15BrClFN4O2S/c24-15-5-10-19(26)14(11-15)12-27-29-21(31)13-33-23-28-20-4-2-1-3-18(20)22(32)30(23)17-8-6-16(25)7-9-17/h1-12H,13H2,(H,29,31) |
| InChIK | LALVMRJJKGLSSK-UHFFFAOYSA-N |
| TotalMolweight | 545.819 |
| Molweight | 545.819 |
| MonoisotopicMass | 543.977162 |
| CLogP | 5.6425 |
| CLogS | -8.009 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.92 |
| Relative PSA | 0.22926 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 2.6208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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