2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
Formula:C24H16N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C24H16N4O4ClS |
| Smiles | [O-]C(c1c(/C=N\NC(CSC(N2c(cc3)ccc3Cl)=Nc(cccc3)c3C2=O)=O)cccc1)=O |
| InChI | InChI=1S/C24H17ClN4O4S/c25-16-9-11-17(12-10-16)29-22(31)19-7-3-4-8-20(19)27-24(29)34-14-21(30)28-26-13-15-5-1-2-6-18(15)23(32)33/h1-13H,14H2,(H,28,30)(H,32,33)/p-1 |
| InChIK | ANPQYDFLYXSZRV-UHFFFAOYSA-M |
| TotalMolweight | 491.934 |
| Molweight | 491.934 |
| MonoisotopicMass | 491.058078 |
| CLogP | 2.2256 |
| CLogS | -6.874 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 356.22 |
| Relative PSA | 0.30577 |
| PolarSurfaceArea | 139.56 |
| Druglikeness | 5.7844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
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