N-(4-fluorophenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C28H22N5O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C28H22N5O3F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(COc2cccc3cccnc23)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C28H22FN5O3/c29-21-10-12-22(13-11-21)32-26(35)17-34-16-20(23-7-1-2-8-24(23)34)15-31-33-27(36)18-37-25-9-3-5-19-6-4-14-30-28(19)25/h1-16H,17-18H2,(H,32,35)(H,33,36) |
| InChIK | MPOXGZHWMQJEGY-UHFFFAOYSA-N |
| TotalMolweight | 495.513 |
| Molweight | 495.513 |
| MonoisotopicMass | 495.170668 |
| CLogP | 4.0076 |
| CLogS | -5.688 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 376.99 |
| Relative PSA | 0.23436 |
| PolarSurfaceArea | 97.61 |
| Druglikeness | 5.266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-(4-fluorophenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
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