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Basic information
- Standard SMILES
CC1(Oc2cc(NS(=O)(=O)N3CCC3)nc(SCc3cccc(F)c3F)n2)COC(C)(C)OC1- InChIKey
NKYRICSKSRVJSR-UHFFFAOYSA-N- Molecular formula
- C21H26F2N4O5S2
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2,2,5-trimethyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamide
- IUPAC
- N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2,2,5-trimethyl-1,3-dioxan-5-yl)oxy]pyrimidin-4-yl]azetidine-1-sulfonamide
Names & synonyms
N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(2,2,5-trimethyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamideN-[2-[[(2,3-difluorophenyl)methyl]thio)-6-[(2,2,5-trimethyl-1,3-dioxan-5-yl)oxy]-4-pyrimidinyl]-1-azetidinesulfonamideSCHEMBL1487033NKYRICSKSRVJSR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53628343
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 789
Related reactions
8 records
Compound notes
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