(2E)-7-amino-5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Formula:C22H10N4OCl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-7-amino-5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
| MolName | (2E)-7-amino-5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C22H10N4OCl4S |
| Smiles | NC(C(C#N)=C(N(C1c(ccc(Cl)c2)c2Cl)C2=O)S/C2=C/c(ccc(Cl)c2)c2Cl)=C1C#N |
| InChI | InChI=1S/C22H10Cl4N4OS/c23-11-2-1-10(16(25)6-11)5-18-21(31)30-20(13-4-3-12(24)7-17(13)26)14(8-27)19(29)15(9-28)22(30)32-18/h1-7,20H,29H2/t20-/m0/s1 |
| InChIK | JJRXXQBRGRXDLT-FQEVSTJZSA-N |
| TotalMolweight | 520.226 |
| Molweight | 520.226 |
| MonoisotopicMass | 517.932939 |
| CLogP | 5.201 |
| CLogS | -7.969 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.23 |
| Relative PSA | 0.2196 |
| PolarSurfaceArea | 119.21 |
| Druglikeness | -0.53964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| 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)-7-amino-5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | 2 - (2E)-7-amino-5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
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