Basic information
- Standard SMILES
CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCC5(CC4)COC(=O)N5)n3)s2)c(F)c1- InChIKey
HXYMNHNSSOBIQN-UHFFFAOYSA-N- Molecular formula
- C27H30FN5O4S
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.20025379
Names & identifiers
- Preferred name
- 5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-oxo-3-oxa-1,8-diazaspiro[4.5]dec-8-yl)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
- IUPAC
- 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(2-oxo-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
Names & synonyms
SCHEMBL3513376HXYMNHNSSOBIQN-UHFFFAOYSA-N5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-oxo-3-oxa-1,8-diazaspiro[4.5]dec-8-yl)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59526006
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 872
Related reactions
2 records
Compound notes
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