(2Z)-2-[(5-bromothiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C14H7N2OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(5-bromothiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(5-bromothiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C14H7N2OBrS2 |
| Smiles | O=C(/C(/S1)=C/c(s2)ccc2Br)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C14H7BrN2OS2/c15-12-6-5-8(19-12)7-11-13(18)17-10-4-2-1-3-9(10)16-14(17)20-11/h1-7H |
| InChIK | IVQOVFGJSQYLPD-UHFFFAOYSA-N |
| TotalMolweight | 363.259 |
| Molweight | 363.259 |
| MonoisotopicMass | 361.918314 |
| CLogP | 4.3027 |
| CLogS | -4.996 |
| H Acceptors | 3 |
| TotalSurfaceArea | 216.6 |
| Relative PSA | 0.31731 |
| PolarSurfaceArea | 88.43 |
| Druglikeness | 0.1284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[(5-bromothiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(5-bromothiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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