N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]benzamide
Formula:C24H21N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]benzamide |
| MolecularFormula | C24H21N5O2 |
| Smiles | O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1ccccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C24H21N5O2/c30-23(18-8-2-1-3-9-18)28-22(13-19-16-26-21-11-5-4-10-20(19)21)24(31)29-27-15-17-7-6-12-25-14-17/h1-12,14-16,22,26H,13H2,(H,28,30)(H,29,31)/t22-/m1/s1 |
| InChIK | QCRUYSYKHGTGGG-JOCHJYFZSA-N |
| TotalMolweight | 411.464 |
| Molweight | 411.464 |
| MonoisotopicMass | 411.169525 |
| CLogP | 3.125 |
| CLogS | -4.731 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 325.15 |
| Relative PSA | 0.26286 |
| PolarSurfaceArea | 99.24 |
| Druglikeness | 7.2353 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]benzamide | 2 - N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]benzamide
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