N-(5-chloro-2-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
Formula:C27H28N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-(5-chloro-2-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide |
| MolecularFormula | C27H28N3O2Cl |
| Smiles | O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc(cc(cc1)Cl)c1Oc1ccccc1 |
| InChI | InChI=1S/C27H28ClN3O2/c28-23-13-14-26(33-24-11-5-2-6-12-24)25(20-23)29-27(32)21-31-18-16-30(17-19-31)15-7-10-22-8-3-1-4-9-22/h1-14,20H,15-19,21H2,(H,29,32) |
| InChIK | UAOKLHZJRLZOPX-UHFFFAOYSA-N |
| TotalMolweight | 461.991 |
| Molweight | 461.991 |
| MonoisotopicMass | 461.187004 |
| CLogP | 4.9161 |
| CLogS | -5.523 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 363.57 |
| Relative PSA | 0.11442 |
| PolarSurfaceArea | 44.81 |
| Druglikeness | 7.2105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(5-chloro-2-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide | 2 - N-(5-chloro-2-phenoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off