N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinazolin-4-ylsulfanylacetamide
Formula:C17H13N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinazolin-4-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-quinazolin-4-ylsulfanylacetamide |
| MolecularFormula | C17H13N4OClS |
| Smiles | O=C(CSc1ncnc2ccccc12)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)9-21-22-16(23)10-24-17-14-3-1-2-4-15(14)19-11-20-17/h1-9,11H,10H2,(H,22,23) |
| InChIK | KRDRGIOYEDPTGV-UHFFFAOYSA-N |
| TotalMolweight | 356.836 |
| Molweight | 356.836 |
| MonoisotopicMass | 356.049858 |
| CLogP | 3.8715 |
| CLogS | -5.259 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.78 |
| Relative PSA | 0.28384 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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