(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one
Formula:C29H18N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C29H18N3O2ClS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2cc(Oc3ccccc3)ccc2)N1c1nc(cc(cc2)Cl)c2s1 |
| InChI | InChI=1S/C29H18ClN3O2S/c30-21-14-15-26-24(18-21)32-29(36-26)33-27(20-9-3-1-4-10-20)31-25(28(33)34)17-19-8-7-13-23(16-19)35-22-11-5-2-6-12-22/h1-18H |
| InChIK | GESUYWSMZHGSCO-UHFFFAOYSA-N |
| TotalMolweight | 508 |
| Molweight | 508 |
| MonoisotopicMass | 507.080824 |
| CLogP | 7.0004 |
| CLogS | -9.266 |
| H Acceptors | 5 |
| TotalSurfaceArea | 369.49 |
| Relative PSA | 0.18791 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 3.3744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 |
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1 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one
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