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Basic information
- Standard SMILES
CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(S(=O)(=O)CC(F)(F)F)CC4)cc3c2)CC1- InChIKey
FVLURSJBJHJKHZ-UHFFFAOYSA-N- Molecular formula
- C23H31F3N4O4S
- Average molar mass
- 516.6 g/mol
Names & identifiers
- Preferred name
- [5-(1-Isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-[4-(2,2,2-trifluoro-ethanesulfonyl)-piperazin-1-yl]-methanone
- IUPAC
- [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]methanone
Names & synonyms
[5-(1-Isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-[4-(2,2,2-trifluoro-ethanesulfonyl)-piperazin-1-yl]-methanoneSCHEMBL3247468
Database identifiers
- PubChem CID
- 68565366
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 835
Related reactions
2 records
Compound notes
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