(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one
Formula:C23H22N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C23H22N2O3S |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CCN1S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C23H22N2O3S/c26-23(13-10-19-6-2-1-3-7-19)24-14-16-25(17-15-24)29(27,28)22-12-11-20-8-4-5-9-21(20)18-22/h1-13,18H,14-17H2 |
| InChIK | UIPLMTWCMAQTSC-UHFFFAOYSA-N |
| TotalMolweight | 406.505 |
| Molweight | 406.505 |
| MonoisotopicMass | 406.135113 |
| CLogP | 3.8359 |
| CLogS | -3.752 |
| H Acceptors | 5 |
| TotalSurfaceArea | 302.59 |
| Relative PSA | 0.16101 |
| PolarSurfaceArea | 66.07 |
| Druglikeness | 2.0645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one | 2 - (E)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off