4-[(5-phenyltetrazol-2-yl)methyl]-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
Formula:C26H24N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5-phenyltetrazol-2-yl)methyl]-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(5-phenyltetrazol-2-yl)methyl]-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide |
| MolecularFormula | C26H24N6O |
| Smiles | O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C(\CCCC1)/c2c1cccc2 |
| InChI | InChI=1S/C26H24N6O/c33-26(29-27-24-13-7-5-9-20-8-4-6-12-23(20)24)22-16-14-19(15-17-22)18-32-30-25(28-31-32)21-10-2-1-3-11-21/h1-4,6,8,10-12,14-17H,5,7,9,13,18H2,(H,29,33) |
| InChIK | FPNQHLLAXNDDQP-UHFFFAOYSA-N |
| TotalMolweight | 436.518 |
| Molweight | 436.518 |
| MonoisotopicMass | 436.201159 |
| CLogP | 5.3905 |
| CLogS | -6.331 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.5 |
| Relative PSA | 0.21936 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -5.282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 4-[(5-phenyltetrazol-2-yl)methyl]-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide | 2 - 4-[(5-phenyltetrazol-2-yl)methyl]-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
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