N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
Formula:C23H16N8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide |
| MolecularFormula | C23H16N8O2S |
| Smiles | O=C(c1ccccc1)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C23H16N8O2S/c32-20(16-9-3-1-4-10-16)26-24-15-18-21(25-19-13-7-8-14-30(19)22(18)33)34-23-27-28-29-31(23)17-11-5-2-6-12-17/h1-15H,(H,26,32) |
| InChIK | ONEZGEVKEVBSRK-UHFFFAOYSA-N |
| TotalMolweight | 468.5 |
| Molweight | 468.5 |
| MonoisotopicMass | 468.111692 |
| CLogP | 1.8053 |
| CLogS | -5.168 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 349.66 |
| Relative PSA | 0.34714 |
| PolarSurfaceArea | 143.03 |
| Druglikeness | 5.2595 |
| 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 | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide | 2 - N-[(Z)-[4-oxo-2-(1-phenyltetrazol-5-yl)sulfanylpyrido[1,2-a]pyrimidin-3-yl]methylideneamino]benzamide
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