7-bromo-2-[[(Z)-(2-chlorophenyl)methylideneamino]oxymethyl]pyrido[1,2-a]pyrimidin-4-one
Formula:C16H11N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-bromo-2-[[(Z)-(2-chlorophenyl)methylideneamino]oxymethyl]pyrido[1,2-a]pyrimidin-4-one is a drug-like molecule.
| MolName | 7-bromo-2-[[(Z)-(2-chlorophenyl)methylideneamino]oxymethyl]pyrido[1,2-a]pyrimidin-4-one |
| MolecularFormula | C16H11N3O2BrCl |
| Smiles | O=C1N(C=C(C=C2)Br)C2=NC(CO/N=C\c(cccc2)c2Cl)=C1 |
| InChI | InChI=1S/C16H11BrClN3O2/c17-12-5-6-15-20-13(7-16(22)21(15)9-12)10-23-19-8-11-3-1-2-4-14(11)18/h1-9H,10H2 |
| InChIK | JZVBVGNVZNQAFA-UHFFFAOYSA-N |
| TotalMolweight | 392.639 |
| Molweight | 392.639 |
| MonoisotopicMass | 390.972315 |
| CLogP | 3.0494 |
| CLogS | -4.879 |
| H Acceptors | 5 |
| TotalSurfaceArea | 255.77 |
| Relative PSA | 0.19396 |
| PolarSurfaceArea | 54.26 |
| Druglikeness | -3.4732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 7-bromo-2-[[(Z)-(2-chlorophenyl)methylideneamino]oxymethyl]pyrido[1,2-a]pyrimidin-4-one | 2 - 7-bromo-2-[[(Z)-(2-chlorophenyl)methylideneamino]oxymethyl]pyrido[1,2-a]pyrimidin-4-one
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