Basic information
- Standard SMILES
NC1=NC2(CCCc3sc(Br)cc32)C(=O)N1Cc1ccccc1- InChIKey
GSLGMMHLRAQQDE-UHFFFAOYSA-N- Molecular formula
- C17H16BrN3OS
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.01975
Names & identifiers
- Preferred name
- 2'-amino-1'-benzyl-2-bromo-6,7-dihydro-5H-spiro[benzo[b]thiophene-4,4'-imidazol]-5'(1'H)-one
- IUPAC
- 2'-amino-3'-benzyl-2-bromospiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazole]-4'-one
Names & synonyms
SCHEMBL15606156GSLGMMHLRAQQDE-UHFFFAOYSA-N2'-amino-1'-benzyl-2-bromo-6,7-dihydro-5H-spiro[benzo[b]thiophene-4,4'-imidazol]-5'(1'H)-one
Database identifiers
- PubChem CID
- 90070541
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
Related reactions
1 records
Compound notes
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