2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C29H21N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H21N4O3ClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C29H21ClN4O3S/c30-21-13-15-22(16-14-21)34-28(36)25-11-4-5-12-26(25)32-29(34)38-19-27(35)33-31-18-20-7-6-10-24(17-20)37-23-8-2-1-3-9-23/h1-18H,19H2,(H,33,35) |
| InChIK | JXJQPYQWCGBVRH-UHFFFAOYSA-N |
| TotalMolweight | 541.03 |
| Molweight | 541.03 |
| MonoisotopicMass | 540.102288 |
| CLogP | 6.2121 |
| CLogS | -9.158 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 400.7 |
| Relative PSA | 0.2286 |
| PolarSurfaceArea | 108.66 |
| Druglikeness | 5.6703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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