N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
Formula:C22H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide |
| MolecularFormula | C22H16N4O2S |
| Smiles | O=C(c1ccccc1)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1ccccc1 |
| InChI | InChI=1S/C22H16N4O2S/c27-20(16-9-3-1-4-10-16)25-23-15-18-21(29-17-11-5-2-6-12-17)24-19-13-7-8-14-26(19)22(18)28/h1-15H,(H,25,27) |
| InChIK | KNZTZUARMNKAOW-UHFFFAOYSA-N |
| TotalMolweight | 400.461 |
| Molweight | 400.461 |
| MonoisotopicMass | 400.099396 |
| CLogP | 2.6646 |
| CLogS | -5.1 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.42 |
| Relative PSA | 0.26805 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 6.7249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide | 2 - N-[(Z)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
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