Basic information
- Standard SMILES
CCOC(=O)c1cn(Cc2ccc3c(c2)C[C@H](NS(=O)(=O)C(C)C)C3)nc1C(F)(F)F- InChIKey
OWCFSZAWTQOWRI-MRXNPFEDSA-N- Molecular formula
- C20H24F3N3O4S
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- (R)-ethyl 1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[[(2R)-2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
Names & synonyms
(R)-ethyl 1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1591281(R)-ethyl-1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 67088231
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 741
Related reactions
2 records
Compound notes
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