3-[(Z)-(phenylhydrazinylidene)methyl]-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-4-one
Formula:C20H15N5OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(phenylhydrazinylidene)methyl]-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(phenylhydrazinylidene)methyl]-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-4-one |
| MolecularFormula | C20H15N5OS |
| Smiles | O=C1N(C=CC=C2)C2=NC(Sc2ncccc2)=C1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C20H15N5OS/c26-20-16(14-22-24-15-8-2-1-3-9-15)19(27-18-11-4-6-12-21-18)23-17-10-5-7-13-25(17)20/h1-14,24H |
| InChIK | PSSWILORRCKWDM-UHFFFAOYSA-N |
| TotalMolweight | 373.439 |
| Molweight | 373.439 |
| MonoisotopicMass | 373.09973 |
| CLogP | 3.4004 |
| CLogS | -3.496 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.43 |
| Relative PSA | 0.27863 |
| PolarSurfaceArea | 95.25 |
| Druglikeness | 5.4167 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 |
Click to Load Molecule:
1 - 3-[(Z)-(phenylhydrazinylidene)methyl]-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-4-one | 2 - 3-[(Z)-(phenylhydrazinylidene)methyl]-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off