6-ethyl-2-methyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl methanesulfonate
Basic information
- CAS
299950-46-2- Standard SMILES
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OS(C)(=O)=O- InChIKey
GLDRFRFIJAIFCN-UHFFFAOYSA-N- Molecular formula
- C21H20N2O5S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.10929292
Names & identifiers
- Preferred name
- 6-ethyl-2-methyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl methanesulfonate
- IUPAC
- [6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] methanesulfonate
Names & synonyms
AKOS001029767ST501167806-ethyl-2-methyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl methanesulfonate6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl methylsulfona te
Database identifiers
- CAS
299950-46-2- PubChem CID
- 4657478
- EC Number
- 151-060-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 789
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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