N-[(Z)-benzylideneamino]-5-nitro-4,6-diphenylpyrimidin-2-amine
Formula:C23H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-5-nitro-4,6-diphenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-nitro-4,6-diphenylpyrimidin-2-amine |
| MolecularFormula | C23H17N5O2 |
| Smiles | [O-][N+](c1c(-c2ccccc2)nc(N/N=C\c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C23H17N5O2/c29-28(30)22-20(18-12-6-2-7-13-18)25-23(26-21(22)19-14-8-3-9-15-19)27-24-16-17-10-4-1-5-11-17/h1-16H,(H,25,26,27) |
| InChIK | NKADSMIZHFGZGN-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 | 12 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-5-nitro-4,6-diphenylpyrimidin-2-amine | 2 - N-[(Z)-benzylideneamino]-5-nitro-4,6-diphenylpyrimidin-2-amine
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