N-(4-fluorophenyl)-2-[3-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]indol-1-yl]acetamide
Formula:C27H21N4O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[3-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]indol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[3-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C27H21N4O3FS |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NS(c2cc3ccccc3cc2)(=O)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C27H21FN4O3S/c28-22-10-12-23(13-11-22)30-27(33)18-32-17-21(25-7-3-4-8-26(25)32)16-29-31-36(34,35)24-14-9-19-5-1-2-6-20(19)15-24/h1-17,31H,18H2,(H,30,33) |
| InChIK | LFWOGDOBSJVNBQ-UHFFFAOYSA-N |
| TotalMolweight | 500.553 |
| Molweight | 500.553 |
| MonoisotopicMass | 500.131839 |
| CLogP | 4.3866 |
| CLogS | -5.003 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 365.3 |
| Relative PSA | 0.22699 |
| PolarSurfaceArea | 100.94 |
| Druglikeness | 3.664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(4-fluorophenyl)-2-[3-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]indol-1-yl]acetamide
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