(1S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
Formula:C23H17N2OBrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide |
| MolecularFormula | C23H17N2OBrCl2 |
| Smiles | O=C([C@@H](C1)C1(c(cc1)ccc1Cl)c(cc1)ccc1Cl)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C23H17BrCl2N2O/c24-18-3-1-2-15(12-18)14-27-28-22(29)21-13-23(21,16-4-8-19(25)9-5-16)17-6-10-20(26)11-7-17/h1-12,14,21H,13H2,(H,28,29)/t21-/m1/s1 |
| InChIK | IYTVYWROVYTMIT-OAQYLSRUSA-N |
| TotalMolweight | 488.211 |
| Molweight | 488.211 |
| MonoisotopicMass | 485.990128 |
| CLogP | 6.745 |
| CLogS | -7.008 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 319.39 |
| Relative PSA | 0.11275 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.8436 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| 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 | 3 |
| Symmetricatoms | 9 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide | 2 - (1S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
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