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Basic information
- Standard SMILES
CCC(CC)c1ccc(Cl)c2nc3n(c12)CCCCN3c1ccc(S(C)=O)cc1C- InChIKey
ZTOZCOLEFHNNHS-UHFFFAOYSA-N- Molecular formula
- C24H30ClN3OS
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1798115
Names & identifiers
- Preferred name
- 10-Chloro-7-(1-ethylpropyl)-1-[2-methyl-4-(methylsulfinyl)phenyl]-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazole
- IUPAC
- 10-chloro-1-(2-methyl-4-methylsulfinylphenyl)-7-pentan-3-yl-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazole
Names & synonyms
SCHEMBL3758140ZTOZCOLEFHNNHS-UHFFFAOYSA-N10-Chloro-7-(1-ethylpropyl)-1-[2-methyl-4-(methylsulfinyl)phenyl]-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazole
Database identifiers
- PubChem CID
- 57786140
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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