Basic information
- Standard SMILES
CC1=NC2(NC1=S)c1cc(Br)ccc1CC21CCC(C(F)F)CC1- InChIKey
VRVYLHHPVAOVMX-UHFFFAOYSA-N- Molecular formula
- C18H19BrF2N2S
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazole]-4''(3''H)-thione
Names & synonyms
6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazole]-4''(3''H)-thioneSCHEMBL9948462
Database identifiers
- PubChem CID
- 86667282
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 573
Related reactions
4 records
Compound notes
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