N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C23H16N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C23H16N4O2Cl2S |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16Cl2N4O2S/c24-16-7-5-15(6-8-16)13-26-28-21(30)14-32-23-27-20-4-2-1-3-19(20)22(31)29(23)18-11-9-17(25)10-12-18/h1-13H,14H2,(H,28,30) |
| InChIK | OHOTXZNYJQIDCC-UHFFFAOYSA-N |
| TotalMolweight | 483.378 |
| Molweight | 483.378 |
| MonoisotopicMass | 482.0371 |
| CLogP | 5.4225 |
| CLogS | -7.597 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 346.36 |
| Relative PSA | 0.23559 |
| 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 | 0.5625 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
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