2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C23H17N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H17N4O3BrS |
| Smiles | Oc1cccc(/C=N\NC(CSC(N2c(cc3)ccc3Br)=Nc(cccc3)c3C2=O)=O)c1 |
| InChI | InChI=1S/C23H17BrN4O3S/c24-16-8-10-17(11-9-16)28-22(31)19-6-1-2-7-20(19)26-23(28)32-14-21(30)27-25-13-15-4-3-5-18(29)12-15/h1-13,29H,14H2,(H,27,30) |
| InChIK | BTJLGTOFLLHXNX-UHFFFAOYSA-N |
| TotalMolweight | 509.383 |
| Molweight | 509.383 |
| MonoisotopicMass | 508.020472 |
| CLogP | 4.59 |
| CLogS | -6.663 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 340.5 |
| Relative PSA | 0.27812 |
| PolarSurfaceArea | 119.66 |
| Druglikeness | 3.9184 |
| 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 | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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