(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one
Formula:C29H17N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C29H17N3O2Cl2S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2cc(Oc3ccccc3)ccc2)N1c(sc1c2)nc1cc(Cl)c2Cl |
| InChI | InChI=1S/C29H17Cl2N3O2S/c30-22-16-24-26(17-23(22)31)37-29(33-24)34-27(19-9-3-1-4-10-19)32-25(28(34)35)15-18-8-7-13-21(14-18)36-20-11-5-2-6-12-20/h1-17H |
| InChIK | SQJZEMRVVRMTOR-UHFFFAOYSA-N |
| TotalMolweight | 542.445 |
| Molweight | 542.445 |
| MonoisotopicMass | 541.041851 |
| CLogP | 7.6064 |
| CLogS | -10.002 |
| H Acceptors | 5 |
| TotalSurfaceArea | 384.91 |
| Relative PSA | 0.18038 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 3.3744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off