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Basic information
- Standard SMILES
COC(=O)C(c1ccccc1OC)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(Cl)cc21- InChIKey
OGCVGQSANULWEH-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O6
- Average molar mass
- 446.9 g/mol
- Monoisotopic mass
- 446.1244642
Names & identifiers
- Preferred name
- Tert-butyl 5-chloro-3-[2-methoxy-1-(2-methoxyphenyl)-2-oxoethyl]-2-oxobenzimidazole-1-carboxylate
- IUPAC
- tert-butyl 5-chloro-3-[2-methoxy-1-(2-methoxyphenyl)-2-oxoethyl]-2-oxobenzimidazole-1-carboxylate
Names & synonyms
SCHEMBL639820
Database identifiers
- PubChem CID
- 24901092
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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