N-(4-fluorophenyl)-2-[3-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C29H23N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[3-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[3-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C29H23N4O3F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(COc2cccc3ccccc23)=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C29H23FN4O3/c30-22-12-14-23(15-13-22)32-28(35)18-34-17-21(24-8-3-4-10-26(24)34)16-31-33-29(36)19-37-27-11-5-7-20-6-1-2-9-25(20)27/h1-17H,18-19H2,(H,32,35)(H,33,36) |
| InChIK | UMBBPUUDIJDABT-UHFFFAOYSA-N |
| TotalMolweight | 494.525 |
| Molweight | 494.525 |
| MonoisotopicMass | 494.175419 |
| CLogP | 4.886 |
| CLogS | -6.588 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 378.23 |
| Relative PSA | 0.20458 |
| PolarSurfaceArea | 84.72 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(4-fluorophenyl)-2-[3-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
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