Basic information
- Standard SMILES
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(CN)CCC4(CC3)OCCO4)s2)c1- InChIKey
USUYKJKIFXLDRE-UHFFFAOYSA-N- Molecular formula
- C24H26F3N5O2S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.17593075
Names & identifiers
- Preferred name
- N-(3-{2-[8-(aminomethyl)-1,4-dioxaspiro[4.5]dec-8-yl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
- IUPAC
- N-[3-[2-[8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
Names & synonyms
N-(3-{2-[8-(aminomethyl)-1,4-dioxaspiro[4.5]dec-8-yl]-1,3-thiazol-5-yl}-5-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amineSCHEMBL2497875
Database identifiers
- PubChem CID
- 67429575
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 716
Related reactions
5 records
Compound notes
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