4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C21H17N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(5-phenyltetrazol-2-yl)methyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C21H17N7O |
| Smiles | O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C21H17N7O/c29-21(25-23-14-16-10-12-22-13-11-16)19-8-6-17(7-9-19)15-28-26-20(24-27-28)18-4-2-1-3-5-18/h1-14H,15H2,(H,25,29) |
| InChIK | QCCWLLKCYYSUGZ-UHFFFAOYSA-N |
| TotalMolweight | 383.414 |
| Molweight | 383.414 |
| MonoisotopicMass | 383.149458 |
| CLogP | 3.3749 |
| CLogS | -4.317 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 304.51 |
| Relative PSA | 0.28492 |
| PolarSurfaceArea | 97.95 |
| Druglikeness | 0.93505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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