2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
Formula:C23H16N4O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H16N4O2BrClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Br)=Nc(cccc2)c2C1=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H16BrClN4O2S/c24-16-9-11-17(12-10-16)29-22(31)18-6-2-4-8-20(18)27-23(29)32-14-21(30)28-26-13-15-5-1-3-7-19(15)25/h1-13H,14H2,(H,28,30) |
| InChIK | IJPQKFSEXVJRPC-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 |
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1 - 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide | 2 - 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
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