(2R)-2-(benzylamino)-N-[(Z)-benzylideneamino]-2-phenylacetamide
Formula:C22H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-(benzylamino)-N-[(Z)-benzylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-2-(benzylamino)-N-[(Z)-benzylideneamino]-2-phenylacetamide |
| MolecularFormula | C22H21N3O |
| Smiles | O=C([C@@H](c1ccccc1)NCc1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H21N3O/c26-22(25-24-17-19-12-6-2-7-13-19)21(20-14-8-3-9-15-20)23-16-18-10-4-1-5-11-18/h1-15,17,21,23H,16H2,(H,25,26)/t21-/m1/s1 |
| InChIK | GZFBNTSWXXSKSO-OAQYLSRUSA-N |
| TotalMolweight | 343.429 |
| Molweight | 343.429 |
| MonoisotopicMass | 343.168462 |
| CLogP | 3.5014 |
| CLogS | -4.453 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 284.47 |
| Relative PSA | 0.16687 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 6.2982 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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