(1R)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C30H25N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1R)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1R)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C30H25N2O2Br |
| Smiles | O=C([C@H](C1)C1(c1ccccc1)c1ccccc1)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C30H25BrN2O2/c31-26-16-17-28(35-21-22-10-4-1-5-11-22)23(18-26)20-32-33-29(34)27-19-30(27,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-18,20,27H,19,21H2,(H,33,34)/t27-/m0/s1 |
| InChIK | SMYQVULNOUIWTH-MHZLTWQESA-N |
| TotalMolweight | 525.445 |
| Molweight | 525.445 |
| MonoisotopicMass | 524.109939 |
| CLogP | 6.8811 |
| CLogS | -6.877 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 372.07 |
| Relative PSA | 0.12366 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 3.4857 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| StereoCon | this enantiomer |
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1 - (1R)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1R)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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