Basic information
- CAS
41776-77-6- Standard SMILES
O=c1/c(=C\c2cccc(Cl)c2)sc2nc3ccccc3n12- InChIKey
YUGGAQMINVHYSZ-NTEUORMPSA-N- Molecular formula
- C16H9ClN2OS
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0124118
Names & identifiers
- Preferred name
- Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((3-chlorophenyl)methylene)-
- IUPAC
- (2E)-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Names & synonyms
41776-77-6Thiazolo(3,2-a)benzimidazol-3(2H)-one, 2-((3-chlorophenyl)methylene)-RefChem:10999312-((3-Chlorophenyl)methylene)thiazolo(3,2-a)benzimidazol-3(2H)-one(2E)-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-oneBRN 1007290AKOS001633454CCG-349404SR-01000433679SR-01000433679-1
Database identifiers
- CAS
41776-77-6- PubChem CID
- 6445802
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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