N-[(Z)-benzylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C23H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C23H17N4O2ClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)28-22(30)19-8-4-5-9-20(19)26-23(28)31-15-21(29)27-25-14-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,29) |
| InChIK | JLVHXYDUHJWDEU-UHFFFAOYSA-N |
| TotalMolweight | 448.933 |
| Molweight | 448.933 |
| MonoisotopicMass | 448.076073 |
| CLogP | 4.8165 |
| CLogS | -6.861 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.94 |
| Relative PSA | 0.24657 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 5.7508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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