2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C23H15N4O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H15N4O2Cl3S |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C23H15Cl3N4O2S/c24-14-8-10-15(11-9-14)30-22(32)16-4-1-2-7-20(16)28-23(30)33-13-21(31)29-27-12-17-18(25)5-3-6-19(17)26/h1-12H,13H2,(H,29,31) |
| InChIK | ZUHZWPBFDUSAED-UHFFFAOYSA-N |
| TotalMolweight | 517.823 |
| Molweight | 517.823 |
| MonoisotopicMass | 515.998127 |
| CLogP | 6.0285 |
| CLogS | -8.333 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.78 |
| Relative PSA | 0.22555 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 5.7508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
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