(1R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C23H18N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(1R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C23H18N2O2Br2 |
| Smiles | Oc(cc(/C=N\NC([C@H](C1)C1(c1ccccc1)c1ccccc1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C23H18Br2N2O2/c24-19-12-20(25)21(28)11-15(19)14-26-27-22(29)18-13-23(18,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,18,28H,13H2,(H,27,29)/t18-/m0/s1 |
| InChIK | AUWXQRFWKIVDFJ-SFHVURJKSA-N |
| TotalMolweight | 514.216 |
| Molweight | 514.216 |
| MonoisotopicMass | 511.9735 |
| CLogP | 5.9125 |
| CLogS | -6.074 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 313.53 |
| Relative PSA | 0.15664 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.7998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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