2-[3-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
Formula:C25H17N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]indol-1-yl]-N-(4-fluorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]indol-1-yl]-N-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H17N4O3F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\N(C(c2c3cccc2)=O)C3=O)c1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C25H17FN4O3/c26-17-9-11-18(12-10-17)28-23(31)15-29-14-16(19-5-3-4-8-22(19)29)13-27-30-24(32)20-6-1-2-7-21(20)25(30)33/h1-14H,15H2,(H,28,31) |
| InChIK | OYLPEMQVXUJCEV-UHFFFAOYSA-N |
| TotalMolweight | 440.433 |
| Molweight | 440.433 |
| MonoisotopicMass | 440.128469 |
| CLogP | 3.5668 |
| CLogS | -5.063 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.96 |
| Relative PSA | 0.22452 |
| PolarSurfaceArea | 83.77 |
| Druglikeness | 4.6424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]indol-1-yl]-N-(4-fluorophenyl)acetamide | 2 - 2-[3-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
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