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Basic information
- Standard SMILES
CCC(CC)c1ccc(Cl)c2nc3n(c12)CCCCN3c1ncc(S(C)(=O)=O)cc1C- InChIKey
IJEIDFSDGNOEKL-UHFFFAOYSA-N- Molecular formula
- C23H29ClN4O2S
- Average molar mass
- 461 g/mol
Names & identifiers
- Preferred name
- 10-Chloro-7-(1-ethylpropyl)-1-[3-methyl-5-(methylsulfonyl)pyridin-2-yl]-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazole
- IUPAC
- 10-chloro-1-(3-methyl-5-methylsulfonyl-2-pyridinyl)-7-pentan-3-yl-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazole
Names & synonyms
SCHEMBL3748148IJEIDFSDGNOEKL-UHFFFAOYSA-N10-Chloro-7-(1-ethylpropyl)-1-[3-methyl-5-(methylsulfonyl)pyridin-2-yl]-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazole
Database identifiers
- PubChem CID
- 57786101
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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