(1S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C23H19N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C23H19N2OCl |
| Smiles | O=C([C@@H](C1)C1(c1ccccc1)c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H19ClN2O/c24-21-14-8-7-9-17(21)16-25-26-22(27)20-15-23(20,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,16,20H,15H2,(H,26,27)/t20-/m1/s1 |
| InChIK | KJLRSHZCVMQHGT-HXUWFJFHSA-N |
| TotalMolweight | 374.87 |
| Molweight | 374.87 |
| MonoisotopicMass | 374.11859 |
| CLogP | 5.4138 |
| CLogS | -5.438 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 285.34 |
| Relative PSA | 0.1262 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.6336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
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1 - (1S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1S)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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