N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine
Basic information
- Standard SMILES
CN(C)CCn1c2c(c3ccc(SC(F)(F)F)cc31)COCC2- InChIKey
BSUYXYRZUHPEMV-UHFFFAOYSA-N- Molecular formula
- C16H19F3N2OS
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11701889
Names & identifiers
- Preferred name
- N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine
- IUPAC
- N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine
Database identifiers
- PubChem CID
- 207240
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
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Compound notes
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