4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C23H17N6OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C23H17N6OF3 |
| Smiles | O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H17F3N6O/c24-23(25,26)20-12-8-16(9-13-20)14-27-29-22(33)19-10-6-17(7-11-19)15-32-30-21(28-31-32)18-4-2-1-3-5-18/h1-14H,15H2,(H,29,33) |
| InChIK | QSMJEVSLYWMWSV-UHFFFAOYSA-N |
| TotalMolweight | 450.423 |
| Molweight | 450.423 |
| MonoisotopicMass | 450.141593 |
| CLogP | 5.2241 |
| CLogS | -5.89 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.21 |
| Relative PSA | 0.2261 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -6.255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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