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Basic information
- CAS
29465-20-1- Standard SMILES
CN(C)CCn1c2c(c3ccc(SC(F)(F)F)cc31)COCC2.Cl- InChIKey
KCJVZUNUYGULNN-UHFFFAOYSA-N- Molecular formula
- C16H20ClF3N2OS
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 380.0936966
Names & identifiers
- Preferred name
- Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(2-(dimethylamino)ethyl)-7(or 9)-(trifluoromethyl)-, monohydrochloride
- IUPAC
- N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine;hydrochloride
Names & synonyms
29465-20-1Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(2-(dimethylamino)ethyl)-7(or 9)-(trifluoromethyl)-, monohydrochlorideDTXSID50183670RefChem:385372DTXCID90106161N,N-Dimethyl-2-{7-[(trifluoromethyl)sulfanyl]-3,4-dihydropyrano[4,3-b]indol-5(1H)-yl}ethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
29465-20-1- PubChem CID
- 207239
- DTXSID
DTXSID50183670
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
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Compound notes
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