N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-4-fluorobenzamide
Formula:C16H10N4O2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C16H10N4O2ClF |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Cl |
| InChI | InChI=1S/C16H10ClFN4O2/c17-14-12(16(24)22-8-2-1-3-13(22)20-14)9-19-21-15(23)10-4-6-11(18)7-5-10/h1-9H,(H,21,23) |
| InChIK | JQNBOJDHLKXFOX-UHFFFAOYSA-N |
| TotalMolweight | 344.732 |
| Molweight | 344.732 |
| MonoisotopicMass | 344.047631 |
| CLogP | 1.3381 |
| CLogS | -4.103 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.94 |
| Relative PSA | 0.25753 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 5.2375 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-4-fluorobenzamide
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