N-[(2R)-1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide
Formula:C23H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2R)-1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(2R)-1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide |
| MolecularFormula | C23H19N4O4Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N[C@H](Cc1ccccc1)C(N/N=C\c(cccc1)c1Cl)=O)=O)=O |
| InChI | InChI=1S/C23H19ClN4O4/c24-20-9-5-4-8-18(20)15-25-27-23(30)21(14-16-6-2-1-3-7-16)26-22(29)17-10-12-19(13-11-17)28(31)32/h1-13,15,21H,14H2,(H,26,29)(H,27,30)/t21-/m1/s1 |
| InChIK | KGCWPXFOUKVRHE-OAQYLSRUSA-N |
| TotalMolweight | 450.881 |
| Molweight | 450.881 |
| MonoisotopicMass | 450.109483 |
| CLogP | 3.7709 |
| CLogS | -6.197 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 341.31 |
| Relative PSA | 0.26641 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 2.0813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - N-[(2R)-1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide | 2 - N-[(2R)-1-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide
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