N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
Formula:C19H17N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide |
| MolecularFormula | C19H17N4O2ClS |
| Smiles | O=C(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C19H17ClN4O2S/c20-13-5-3-4-12(8-13)9-22-23-16(25)10-24-11-21-18-17(19(24)26)14-6-1-2-7-15(14)27-18/h3-5,8-9,11H,1-2,6-7,10H2,(H,23,25) |
| InChIK | WHESSANSNMYXEE-UHFFFAOYSA-N |
| TotalMolweight | 400.889 |
| Molweight | 400.889 |
| MonoisotopicMass | 400.076073 |
| CLogP | 3.8198 |
| CLogS | -5.697 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.96 |
| Relative PSA | 0.28833 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 3.6168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide | 2 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
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