Hydroxy{(1S)-4-pyrimidin-2-yl-1-[({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)methyl]butyl}formamide
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Basic information
- Standard SMILES
O=CN(O)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(OCC(F)(F)F)cn2)CC1- InChIKey
PTGTYPSMEBWPPX-INIZCTEOSA-N- Molecular formula
- C20H26F3N7O5S
- Average molar mass
- 533.5 g/mol
- Monoisotopic mass
- 533.16682262
Names & identifiers
- Preferred name
- Hydroxy{(1S)-4-pyrimidin-2-yl-1-[({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)methyl]butyl}formamide
- IUPAC
- N-hydroxy-N-[(2S)-5-pyrimidin-2-yl-1-[4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl]sulfonylpentan-2-yl]formamide
Names & synonyms
Hydroxy{(1S)-4-pyrimidin-2-yl-1-[({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)methyl]butyl}formamideSCHEMBL3933431
Database identifiers
- PubChem CID
- 57559244
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 767
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Related reactions
1 records
Compound notes
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