Basic information
- Standard SMILES
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1- InChIKey
SEMLTECGFLAMPC-UHFFFAOYSA-N- Molecular formula
- C18H20BrF2N3
- Average molar mass
- 396.3 g/mol
Names & identifiers
- Preferred name
- 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
Names & synonyms
6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amineSCHEMBL9948457CHEMBL3657444BDBM136903US8865911, 128
Database identifiers
- PubChem CID
- 67979577
- ChEMBL
CHEMBL3657444
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 583
Related reactions
8 records
Compound notes
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