Basic information
- Standard SMILES
CS(=O)(=O)Cc1cc(F)cc2c(C(c3ccc(F)cc3F)C3CC3C#N)c[nH]c12- InChIKey
ZRXOMBXISKCUGK-UHFFFAOYSA-N- Molecular formula
- C21H17F3N2O2S
- Average molar mass
- 418.4 g/mol
Names & identifiers
- Preferred name
- 2-[(2,4-Difluorophenyl){5-fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}methyl]cyclopropane-carbonitrile
- IUPAC
- 2-[(2,4-difluorophenyl)-[5-fluoro-7-(methylsulfonylmethyl)-1H-indol-3-yl]methyl]cyclopropane-1-carbonitrile
Names & synonyms
SCHEMBL1349707ZRXOMBXISKCUGK-UHFFFAOYSA-N2-[(2,4-Difluorophenyl){5-fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}methyl]cyclopropane-carbonitrile
Database identifiers
- PubChem CID
- 58392425
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
Loading…