(2Z)-2-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C23H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C23H14N3O4ClS |
| Smiles | [O-][N+](c(cc1)cc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H14ClN3O4S/c24-16-7-5-14(6-8-16)13-31-20-10-9-17(27(29)30)11-15(20)12-21-22(28)26-19-4-2-1-3-18(19)25-23(26)32-21/h1-12H,13H2 |
| InChIK | WEPNADFHLFLTOY-UHFFFAOYSA-N |
| TotalMolweight | 463.9 |
| Molweight | 463.9 |
| MonoisotopicMass | 463.039354 |
| CLogP | 4.5387 |
| CLogS | -6.672 |
| H Acceptors | 7 |
| TotalSurfaceArea | 324.64 |
| Relative PSA | 0.2735 |
| PolarSurfaceArea | 115.24 |
| Druglikeness | -1.8371 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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