N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-2-(5-phenyltetrazol-1-yl)acetamide
Formula:C26H31N9O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-2-(5-phenyltetrazol-1-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]-2-(5-phenyltetrazol-1-yl)acetamide |
| MolecularFormula | C26H31N9O3 |
| Smiles | [O-][N+](c(cc(/C=N\NC(Cn1nnnc1-c1ccccc1)=O)c(N1CCCCC1)c1)c1N1CCCCC1)=O |
| InChI | InChI=1S/C26H31N9O3/c36-25(19-34-26(29-30-31-34)20-10-4-1-5-11-20)28-27-18-21-16-24(35(37)38)23(33-14-8-3-9-15-33)17-22(21)32-12-6-2-7-13-32/h1,4-5,10-11,16-18H,2-3,6-9,12-15,19H2,(H,28,36) |
| InChIK | LQSNHDGKMYNOSP-UHFFFAOYSA-N |
| TotalMolweight | 517.592 |
| Molweight | 517.592 |
| MonoisotopicMass | 517.254986 |
| CLogP | 2.8757 |
| CLogS | -7.108 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 400.86 |
| Relative PSA | 0.28267 |
| PolarSurfaceArea | 137.36 |
| Druglikeness | -2.0645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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