Basic information
- Standard SMILES
COC1CCC2(CC1)Cc1ccc(Br)cc1C21N=C(C)C(=S)N1- InChIKey
LGRYFUPTJQLWID-UHFFFAOYSA-N- Molecular formula
- C18H21BrN2OS
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- 6'-Bromo-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazole]-4''(3''H)-thione
Names & synonyms
SCHEMBL9948090SCHEMBL9948093LGRYFUPTJQLWID-UHFFFAOYSA-N6'-Bromo-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazole]-4''(3''H)-thione
Database identifiers
- PubChem CID
- 86667271
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 543
Related reactions
11 records
Compound notes
Loading…