Basic information
- Standard SMILES
CC1=NCCn2c1cc1c2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2CC1- InChIKey
BFHSDXYLGTXGNL-UHFFFAOYSA-N- Molecular formula
- C17H15F3N2O3S
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.075548
Names & identifiers
- Preferred name
- Trifluoromethanesulphonic acid 5,6,10,11-tetrahydro-8-methyl-benzo[g]pyrazino[1,2-a]indol-3-yl ester
- IUPAC
- (13-methyl-14,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,11,13-hexaen-5-yl) trifluoromethanesulfonate
Names & synonyms
Trifluoromethanesulphonic acid 5,6,10,11-tetrahydro-8-methyl-benzo[g]pyrazino[1,2-a]indol-3-yl esterSCHEMBL7284163Trifluoromethanesulphonic acid 5,6,10,11-tetrahydro-8-methyl-benzo[g]pyrazino[1,2-a]indol-3-yl-ester
Database identifiers
- PubChem CID
- 21803393
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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