| MolName | N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C23H16N6O2Br2Cl2 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H16Br2Cl2N6O2/c24-17-8-16(22(19(25)9-17)35-13-15-6-7-18(26)10-20(15)27)11-28-29-21(34)12-33-31-23(30-32-33)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,29,34) |
| InChIK | VSKZXDTZRHUWIW-UHFFFAOYSA-N |
| TotalMolweight | 639.134 |
| Molweight | 639.134 |
| MonoisotopicMass | 635.90785 |
| CLogP | 6.5234 |
| CLogS | -8.27 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 397.61 |
| Relative PSA | 0.21576 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | -1.0782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide