Basic information
- Standard SMILES
CC(=O)OCc1nc2cc(-c3nc4ccccc4s3)ccc2n1C1CCOCC1- InChIKey
BXYFIUQGPVJPSJ-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3S
- Average molar mass
- 407.5 g/mol
Names & identifiers
- Preferred name
- 2-Acetoxymethyl-5-(benzothiazol-2-yl)-1-(tetrahydropyran-4-yl)benzimidazole
- IUPAC
- [5-(1,3-benzothiazol-2-yl)-1-(oxan-4-yl)benzimidazol-2-yl]methyl acetate
Names & synonyms
SCHEMBL2687150BXYFIUQGPVJPSJ-UHFFFAOYSA-N2-acetoxymethyl-5-(benzothiazol-2-yl)-1-(tetrahydropyran-4-yl)benzimidazole
Database identifiers
- PubChem CID
- 67498089
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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