(5E)-3-benzyl-2-benzylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C23H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-2-benzylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-2-benzylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N3OS |
| Smiles | O=C(/C(/S1)=C\c2cnccc2)N(Cc2ccccc2)/C1=N/Cc1ccccc1 |
| InChI | InChI=1S/C23H19N3OS/c27-22-21(14-20-12-7-13-24-15-20)28-23(25-16-18-8-3-1-4-9-18)26(22)17-19-10-5-2-6-11-19/h1-15H,16-17H2 |
| InChIK | VMDYTJZMWKJKAS-UHFFFAOYSA-N |
| TotalMolweight | 385.49 |
| Molweight | 385.49 |
| MonoisotopicMass | 385.124882 |
| CLogP | 3.704 |
| CLogS | -4.694 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.78 |
| Relative PSA | 0.1893 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | 4.7962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-benzyl-2-benzylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-2-benzylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off