Basic information
- Standard SMILES
COc1ccc(C2=C(c3cc(F)cc(F)c3)c3ccc(OCCN4CCN(S(C)(=O)=O)CC4)cc3C2=O)cn1- InChIKey
SLMQJKKYALEBJD-UHFFFAOYSA-N- Molecular formula
- C28H27F2N3O5S
- Average molar mass
- 555.6 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Difluorophenyl)-2-(6-methoxypyridin-3-yl)-6-{2-[4-(methylsulfonyl)piperazin-1-yl]ethoxy}-1H-inden-1-one
- IUPAC
- 3-(3,5-difluorophenyl)-2-(6-methoxy-3-pyridinyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]inden-1-one
Names & synonyms
SCHEMBL8235959SLMQJKKYALEBJD-UHFFFAOYSA-N3-(3,5-Difluorophenyl)-2-(6-methoxypyridin-3-yl)-6-{2-[4-(methylsulfonyl)piperazin-1-yl]ethoxy}-1H-inden-1-one
Database identifiers
- PubChem CID
- 70313644
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
1 records
Compound notes
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