(E)-1-(1-benzofuran-2-yl)-3-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
Formula:C29H26N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C29H26N2O4 |
| Smiles | O=C(COc1c(/C=C/C(c2cc(cccc3)c3o2)=O)cccc1)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C29H26N2O4/c32-25(28-20-23-9-5-7-13-27(23)35-28)15-14-22-8-4-6-12-26(22)34-21-29(33)31-18-16-30(17-19-31)24-10-2-1-3-11-24/h1-15,20H,16-19,21H2 |
| InChIK | DGCKNUJROYNFRY-UHFFFAOYSA-N |
| TotalMolweight | 466.535 |
| Molweight | 466.535 |
| MonoisotopicMass | 466.189258 |
| CLogP | 4.6632 |
| CLogS | -5.86 |
| H Acceptors | 6 |
| TotalSurfaceArea | 364.97 |
| Relative PSA | 0.15697 |
| PolarSurfaceArea | 62.99 |
| Druglikeness | 7.5586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-1-(1-benzofuran-2-yl)-3-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one | 2 - (E)-1-(1-benzofuran-2-yl)-3-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
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