2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C25H19N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C25H19N4O2ClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C25H19ClN4O2S/c26-19-12-14-20(15-13-19)30-24(32)21-10-4-5-11-22(21)28-25(30)33-17-23(31)29-27-16-6-9-18-7-2-1-3-8-18/h1-16H,17H2,(H,29,31) |
| InChIK | AZWNBBOQCNVNNO-UHFFFAOYSA-N |
| TotalMolweight | 474.971 |
| Molweight | 474.971 |
| MonoisotopicMass | 474.091723 |
| CLogP | 4.8348 |
| CLogS | -7.153 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 357.44 |
| Relative PSA | 0.22829 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 5.7946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| 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 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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