Basic information
- Standard SMILES
CC#Cc1cncc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)C2(CCC(F)(F)CC2)C3)c1- InChIKey
HJMCUUCUCMHIEU-UHFFFAOYSA-N- Molecular formula
- C25H24F2N4
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.19690311
Names & identifiers
- Preferred name
- 4,4-Difluoro-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
Names & synonyms
4,4-Difluoro-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amineSCHEMBL9947975CHEMBL3653695BDBM136782US8865911, 28h
Database identifiers
- PubChem CID
- 67979372
- ChEMBL
CHEMBL3653695
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 855
Related reactions
4 records
Compound notes
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