N-[(Z)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
Formula:C21H15N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide |
| MolecularFormula | C21H15N5O2S |
| Smiles | O=C(c1ccccc1)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1ncccc1 |
| InChI | InChI=1S/C21H15N5O2S/c27-19(15-8-2-1-3-9-15)25-23-14-16-20(29-18-11-4-6-12-22-18)24-17-10-5-7-13-26(17)21(16)28/h1-14H,(H,25,27) |
| InChIK | VQOXGNQCTDFYHZ-UHFFFAOYSA-N |
| TotalMolweight | 401.449 |
| Molweight | 401.449 |
| MonoisotopicMass | 401.094645 |
| CLogP | 1.7611 |
| CLogS | -4.068 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.18 |
| Relative PSA | 0.30533 |
| PolarSurfaceArea | 112.32 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide | 2 - N-[(Z)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide
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