(2R)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C24H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C24H21N3O2 |
| Smiles | O[C@@H](C(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=O)c1ccccc1 |
| InChI | InChI=1S/C24H21N3O2/c28-23(19-11-5-2-6-12-19)24(29)26-25-15-20-17-27(16-18-9-3-1-4-10-18)22-14-8-7-13-21(20)22/h1-15,17,23,28H,16H2,(H,26,29)/t23-/m1/s1 |
| InChIK | NZLWWVCMKGELJM-HSZRJFAPSA-N |
| TotalMolweight | 383.45 |
| Molweight | 383.45 |
| MonoisotopicMass | 383.163377 |
| CLogP | 3.6593 |
| CLogS | -4.116 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 303.16 |
| Relative PSA | 0.18465 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 6.6301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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