(Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one
Formula:C22H16N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one |
| MolecularFormula | C22H16N2OS |
| Smiles | O=C(/C=C(/c1ccccc1)\Sc1nc(cccc2)c2[nH]1)c1ccccc1 |
| InChI | InChI=1S/C22H16N2OS/c25-20(16-9-3-1-4-10-16)15-21(17-11-5-2-6-12-17)26-22-23-18-13-7-8-14-19(18)24-22/h1-15H,(H,23,24) |
| InChIK | VMAIHRKJEPCDOL-UHFFFAOYSA-N |
| TotalMolweight | 356.448 |
| Molweight | 356.448 |
| MonoisotopicMass | 356.098333 |
| CLogP | 4.8515 |
| CLogS | -4.28 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.66 |
| Relative PSA | 0.2013 |
| PolarSurfaceArea | 71.05 |
| Druglikeness | 2.3405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one | 2 - (Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1,3-diphenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off