Basic information
- Standard SMILES
COC(=O)C1Cc2cccc(S(=O)(=O)N3C4CCCC3CN(c3ccc(OC(F)(F)F)cc3)C4)c2C1- InChIKey
KDPFQGJYPMXUAG-UHFFFAOYSA-N- Molecular formula
- C25H27F3N2O5S
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.15927763
Names & identifiers
- Preferred name
- 4-[3-(4-Trifluoromethoxy-phenyl)-3,9-diaza-bicyclo[3.3.1]nonane-9-sulfonyl]-indan-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-[[3-[4-(trifluoromethoxy)phenyl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]sulfonyl]-2,3-dihydro-1H-indene-2-carboxylate
Names & synonyms
4-[3-(4-trifluoromethoxy-phenyl)-3,9-diaza-bicyclo[3.3.1]nonane-9-sulfonyl]-indan-2-carboxylic acid methyl esterSCHEMBL1470501
Database identifiers
- PubChem CID
- 67045784
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 888
Related reactions
9 records
Compound notes
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