N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
Formula:C23H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C23H17N5O2 |
| Smiles | [O-][N+](c1c(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1)=O |
| InChI | InChI=1S/C23H17N5O2/c29-28(30)22-14-8-7-13-19(22)16-24-27-23-25-20(17-9-3-1-4-10-17)15-21(26-23)18-11-5-2-6-12-18/h1-16H,(H,25,26,27) |
| InChIK | YHCKBXFVUHBBFT-UHFFFAOYSA-N |
| TotalMolweight | 395.421 |
| Molweight | 395.421 |
| MonoisotopicMass | 395.138225 |
| CLogP | 6.226 |
| CLogS | -6.432 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.95 |
| Relative PSA | 0.24304 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine | 2 - N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
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