(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
Formula:C25H15N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile is not a drug-like molecule.
| MolName | (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile |
| MolecularFormula | C25H15N4OClS |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C(\N(C1=O)c2ccccc2)/S/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H15ClN4OS/c26-17-12-10-16(11-13-17)14-22-24(31)30(18-6-2-1-3-7-18)25(32-22)19(15-27)23-28-20-8-4-5-9-21(20)29-23/h1-14H,(H,28,29) |
| InChIK | WOXMRFOWNINQDV-UHFFFAOYSA-N |
| TotalMolweight | 454.94 |
| Molweight | 454.94 |
| MonoisotopicMass | 454.065508 |
| CLogP | 5.1539 |
| CLogS | -6.403 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.51 |
| Relative PSA | 0.21834 |
| PolarSurfaceArea | 98.08 |
| Druglikeness | -0.41213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile | 2 - (2Z)-2-(1H-benzimidazol-2-yl)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off