(6E)-3-phenyl-6-[(4-phenylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C23H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-3-phenyl-6-[(4-phenylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6E)-3-phenyl-6-[(4-phenylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C23H15N3OS |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2-c2ccccc2)n2c1nnc2-c1ccccc1 |
| InChI | InChI=1S/C23H15N3OS/c27-22-20(15-16-11-13-18(14-12-16)17-7-3-1-4-8-17)28-23-25-24-21(26(22)23)19-9-5-2-6-10-19/h1-15H |
| InChIK | ZICANJOALLRSMH-UHFFFAOYSA-N |
| TotalMolweight | 381.458 |
| Molweight | 381.458 |
| MonoisotopicMass | 381.093582 |
| CLogP | 4.9787 |
| CLogS | -7.105 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.71 |
| Relative PSA | 0.20769 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.2023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (6E)-3-phenyl-6-[(4-phenylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6E)-3-phenyl-6-[(4-phenylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off