N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Formula:C25H19N4O2BrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide |
| MolecularFormula | C25H19N4O2BrS |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C25H19BrN4O2S/c26-19(15-18-9-3-1-4-10-18)16-27-29-23(31)17-33-25-28-22-14-8-7-13-21(22)24(32)30(25)20-11-5-2-6-12-20/h1-16H,17H2,(H,29,31) |
| InChIK | GEIFZGOJXTWRNF-UHFFFAOYSA-N |
| TotalMolweight | 519.422 |
| Molweight | 519.422 |
| MonoisotopicMass | 518.041207 |
| CLogP | 4.8214 |
| CLogS | -7.25 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 358.86 |
| Relative PSA | 0.22739 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 0.597 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| 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)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
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