Basic information
- Standard SMILES
CC(C)OCc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12- InChIKey
VDMVSMLZRXDEPQ-UHFFFAOYSA-N- Molecular formula
- C24H26ClF3N4O2S
- Average molar mass
- 527 g/mol
Names & identifiers
- Preferred name
- 2-chloro-4,4-difluoro-1'-[[1-(3-fluoro-2-pyridyl)-3-(isopropoxymethyl)pyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
- IUPAC
- 2-chloro-4,4-difluoro-1'-[[1-(3-fluoro-2-pyridinyl)-3-(propan-2-yloxymethyl)pyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
Names & synonyms
2-chloro-4,4-difluoro-1'-[[1-(3-fluoro-2-pyridyl)-3-(isopropoxymethyl)pyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]SCHEMBL1804397
Database identifiers
- PubChem CID
- 58268564
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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