(E)-N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
Formula:C28H25N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide |
| MolecularFormula | C28H25N2OBr |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccn1Cc(cc1)ccc1Br)Cc1ccccc1 |
| InChI | InChI=1S/C28H25BrN2O/c29-26-16-13-25(14-17-26)20-30-19-7-12-27(30)22-31(21-24-10-5-2-6-11-24)28(32)18-15-23-8-3-1-4-9-23/h1-19H,20-22H2 |
| InChIK | DFFFALXHXVESPI-UHFFFAOYSA-N |
| TotalMolweight | 485.424 |
| Molweight | 485.424 |
| MonoisotopicMass | 484.115024 |
| CLogP | 5.5223 |
| CLogS | -4.61 |
| H Acceptors | 3 |
| TotalSurfaceArea | 356.2 |
| Relative PSA | 0.065862 |
| PolarSurfaceArea | 25.24 |
| Druglikeness | 0.73125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| 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 | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide | 2 - (E)-N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off