4-(2-Hydroxy-ethyl)-piperazine-1-sulfonic acid [2-(2,3-difluoro-benzylsulfanyl)-6-methoxy-pyrimidin-4-yl]-amide
Basic information
- Standard SMILES
COc1cc(NS(=O)(=O)N2CCN(CCO)CC2)nc(SCc2cccc(F)c2F)n1- InChIKey
XXGZMDHCLCYTBK-UHFFFAOYSA-N- Molecular formula
- C18H23F2N5O4S2
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.1159529
Names & identifiers
- Preferred name
- 4-(2-Hydroxy-ethyl)-piperazine-1-sulfonic acid [2-(2,3-difluoro-benzylsulfanyl)-6-methoxy-pyrimidin-4-yl]-amide
- IUPAC
- N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-methoxypyrimidin-4-yl]-4-(2-hydroxyethyl)piperazine-1-sulfonamide
Names & synonyms
SCHEMBL1487195XXGZMDHCLCYTBK-UHFFFAOYSA-N4-(2-Hydroxy-ethyl)-piperazine-1-sulfonic acid [2-(2,3-difluoro-benzylsulfanyl)-6-methoxy-pyrimidin-4-yl]-amide
Database identifiers
- PubChem CID
- 59558802
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
3 records
Compound notes
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