2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:C30H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid is not a drug-like molecule.
| MolName | 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid |
| MolecularFormula | C30H19N3O4S |
| Smiles | OC(c(cc1)cc2c1nc(N(C1=O)C(c3ccccc3)=N/C1=C\c1cc(Oc3ccccc3)ccc1)s2)=O |
| InChI | InChI=1S/C30H19N3O4S/c34-28-25(17-19-8-7-13-23(16-19)37-22-11-5-2-6-12-22)31-27(20-9-3-1-4-10-20)33(28)30-32-24-15-14-21(29(35)36)18-26(24)38-30/h1-18H,(H,35,36) |
| InChIK | KQXBNLSSOSPMEU-UHFFFAOYSA-N |
| TotalMolweight | 517.564 |
| Molweight | 517.564 |
| MonoisotopicMass | 517.109627 |
| CLogP | 5.8205 |
| CLogS | -8.543 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 378.17 |
| Relative PSA | 0.25272 |
| PolarSurfaceArea | 120.33 |
| Druglikeness | 3.2556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid | 2 - 2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-1,3-benzothiazole-6-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off