N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
Formula:C21H15N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide |
| MolecularFormula | C21H15N4O2ClS |
| Smiles | O=C(CN(C=Nc1c2cc(-c3ccccc3)s1)C2=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C21H15ClN4O2S/c22-17-9-5-4-8-15(17)11-24-25-19(27)12-26-13-23-20-16(21(26)28)10-18(29-20)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,25,27) |
| InChIK | DSXDNEWEPCKQPP-UHFFFAOYSA-N |
| TotalMolweight | 422.895 |
| Molweight | 422.895 |
| MonoisotopicMass | 422.060423 |
| CLogP | 4.4791 |
| CLogS | -6.602 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.18 |
| Relative PSA | 0.27145 |
| PolarSurfaceArea | 102.37 |
| Druglikeness | 8.5826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
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