(2Z)-2-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C27H18N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C27H18N2O2S |
| Smiles | O=C(/C(/S1)=C/c(c2ccccc2cc2)c2OCc2ccccc2)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C27H18N2O2S/c30-26-25(32-27-28-22-12-6-7-13-23(22)29(26)27)16-21-20-11-5-4-10-19(20)14-15-24(21)31-17-18-8-2-1-3-9-18/h1-16H,17H2 |
| InChIK | WFMMWNQBRHRAMK-UHFFFAOYSA-N |
| TotalMolweight | 434.518 |
| Molweight | 434.518 |
| MonoisotopicMass | 434.108898 |
| CLogP | 6.0487 |
| CLogS | -7.082 |
| H Acceptors | 4 |
| TotalSurfaceArea | 320.15 |
| Relative PSA | 0.18232 |
| PolarSurfaceArea | 69.42 |
| Druglikeness | 3.132 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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