Basic information
- Standard SMILES
CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)N4CCCCC4)CC2)n3CC(F)(F)F)CC1- InChIKey
HSKIEJTXIVIKPA-UHFFFAOYSA-N- Molecular formula
- C28H39F3N6O4S
- Average molar mass
- 612.7 g/mol
Names & identifiers
- Preferred name
- [5-(4-Isopropyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-[4-(piperidine-1-sulfonyl)-piperazin-1-yl]-methanone
- IUPAC
- [2-(4-piperidin-1-ylsulfonylpiperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
Names & synonyms
[5-(4-Isopropyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-[4-(piperidine-1-sulfonyl)-piperazin-1-yl]-methanoneSCHEMBL3167053
Database identifiers
- PubChem CID
- 68535841
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
Loading…