N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
Formula:C24H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(2-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide |
| MolecularFormula | C24H17N5O3 |
| Smiles | [O-][N+](c1c(/C=N/NC(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)=O)cccc1)=O |
| InChI | InChI=1S/C24H17N5O3/c30-24(28-25-16-19-13-7-8-14-22(19)29(31)32)23-26-20(17-9-3-1-4-10-17)15-21(27-23)18-11-5-2-6-12-18/h1-16H,(H,28,30) |
| InChIK | XAKVVHXUJWGXDM-UHFFFAOYSA-N |
| TotalMolweight | 423.431 |
| Molweight | 423.431 |
| MonoisotopicMass | 423.13314 |
| CLogP | 4.1067 |
| CLogS | -6.017 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 327.7 |
| Relative PSA | 0.26967 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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