N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
Formula:C28H22N5O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide |
| MolecularFormula | C28H22N5O2Br |
| Smiles | O=C(Cn1c(-c2ncccc2)nc2c1cccc2)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H22BrN5O2/c29-22-13-14-26(36-19-20-8-2-1-3-9-20)21(16-22)17-31-33-27(35)18-34-25-12-5-4-10-23(25)32-28(34)24-11-6-7-15-30-24/h1-17H,18-19H2,(H,33,35) |
| InChIK | ALHCZOGFZCTWGB-UHFFFAOYSA-N |
| TotalMolweight | 540.42 |
| Molweight | 540.42 |
| MonoisotopicMass | 539.095686 |
| CLogP | 5.235 |
| CLogS | -6.279 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 383.98 |
| Relative PSA | 0.19485 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 3.9249 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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