(E)-N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
Formula:C28H25N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide |
| MolecularFormula | C28H25N2OF |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccn1Cc1cccc(F)c1)Cc1ccccc1 |
| InChI | InChI=1S/C28H25FN2O/c29-26-14-7-13-25(19-26)21-30-18-8-15-27(30)22-31(20-24-11-5-2-6-12-24)28(32)17-16-23-9-3-1-4-10-23/h1-19H,20-22H2 |
| InChIK | CNISNCAKUKABRV-UHFFFAOYSA-N |
| TotalMolweight | 424.518 |
| Molweight | 424.518 |
| MonoisotopicMass | 424.195091 |
| CLogP | 4.8979 |
| CLogS | -4.09 |
| H Acceptors | 3 |
| TotalSurfaceArea | 343.92 |
| Relative PSA | 0.068214 |
| PolarSurfaceArea | 25.24 |
| Druglikeness | 1.1813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide | 2 - (E)-N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
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