N-(3,4-dichlorophenyl)-3-[(6E)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide
Formula:C20H12N4O2Cl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-3-[(6E)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide is not a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-3-[(6E)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide |
| MolecularFormula | C20H12N4O2Cl4S |
| Smiles | O=C(CCc(n1C2=O)nnc1S/C2=C/c(cc1)cc(Cl)c1Cl)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H12Cl4N4O2S/c21-12-3-1-10(7-14(12)23)8-16-19(30)28-17(26-27-20(28)31-16)5-6-18(29)25-11-2-4-13(22)15(24)9-11/h1-4,7-9H,5-6H2,(H,25,29) |
| InChIK | ANKSQCATFOIWHW-UHFFFAOYSA-N |
| TotalMolweight | 514.219 |
| Molweight | 514.219 |
| MonoisotopicMass | 511.943504 |
| CLogP | 5.59 |
| CLogS | -6.849 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.36 |
| Relative PSA | 0.24347 |
| PolarSurfaceArea | 102.18 |
| Druglikeness | 3.757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(3,4-dichlorophenyl)-3-[(6E)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide | 2 - N-(3,4-dichlorophenyl)-3-[(6E)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off