[(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
Formula:C30H23N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate is not a drug-like molecule.
| MolName | [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate |
| MolecularFormula | C30H23N2O3Br |
| Smiles | O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nc(cccc2)c2n1CCOc(cc1)ccc1Br |
| InChI | InChI=1S/C30H23BrN2O3/c31-24-15-17-25(18-16-24)35-20-19-33-27-14-8-7-13-26(27)32-29(33)21-28(22-9-3-1-4-10-22)36-30(34)23-11-5-2-6-12-23/h1-18,21H,19-20H2 |
| InChIK | FGTGYNMIEFXIQP-UHFFFAOYSA-N |
| TotalMolweight | 539.428 |
| Molweight | 539.428 |
| MonoisotopicMass | 538.089204 |
| CLogP | 6.7117 |
| CLogS | -5.812 |
| H Acceptors | 5 |
| TotalSurfaceArea | 383.71 |
| Relative PSA | 0.1326 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | 0.70223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate | 2 - [(E)-2-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
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