N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]benzamide
Formula:C22H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]benzamide |
| MolecularFormula | C22H15N2OClS |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15ClN2OS/c23-17-12-10-15(11-13-17)14-19(24-21(26)16-6-2-1-3-7-16)22-25-18-8-4-5-9-20(18)27-22/h1-14H,(H,24,26) |
| InChIK | PYUKOOIRSSEDBH-UHFFFAOYSA-N |
| TotalMolweight | 390.893 |
| Molweight | 390.893 |
| MonoisotopicMass | 390.05936 |
| CLogP | 5.2289 |
| CLogS | -5.729 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 291.42 |
| Relative PSA | 0.19158 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 3.2848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]benzamide | 2 - N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off