(2E)-5-amino-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Formula:C22H10N4OCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-5-amino-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
| MolName | (2E)-5-amino-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C22H10N4OCl4S |
| Smiles | NC(N(C(/C(/S1)=C\c(ccc(Cl)c2)c2Cl)=O)C1=C(C1c(ccc(Cl)c2)c2Cl)C#N)=C1C#N |
| InChI | InChI=1S/C22H10Cl4N4OS/c23-11-2-1-10(16(25)6-11)5-18-21(31)30-20(29)14(8-27)19(15(9-28)22(30)32-18)13-4-3-12(24)7-17(13)26/h1-7,19H,29H2/t19-/m0/s1 |
| InChIK | BGSWFLTZFPLVKB-IBGZPJMESA-N |
| TotalMolweight | 520.226 |
| Molweight | 520.226 |
| MonoisotopicMass | 517.932939 |
| CLogP | 6.127 |
| CLogS | -9.62 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.23 |
| Relative PSA | 0.2196 |
| PolarSurfaceArea | 119.21 |
| Druglikeness | -0.37426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-5-amino-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | 2 - (2E)-5-amino-7-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off