Completing data — refresh the page later to see the latest
Basic information
- CAS
29465-17-6- Standard SMILES
CN(C)CCCn1c2c(c3ccc(SC(F)(F)F)cc31)COCC2.Cl- InChIKey
CMUALNNWTORJQQ-UHFFFAOYSA-N- Molecular formula
- C17H22ClF3N2OS
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.1093467
Names & identifiers
- Preferred name
- Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(dimethylamino)propyl)-7(or 9)-(trifluoromethyl)-, monohydrochloride
- IUPAC
- N,N-dimethyl-3-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]propan-1-amine;hydrochloride
Names & synonyms
29465-17-6Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(dimethylamino)propyl)-7(or 9)-(trifluoromethyl)-, monohydrochlorideDTXSID40183669RefChem:385374DTXCID30106160N,N-Dimethyl-3-{7-[(trifluoromethyl)sulfanyl]-3,4-dihydropyrano[4,3-b]indol-5(1H)-yl}propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
29465-17-6- PubChem CID
- 207237
- DTXSID
DTXSID40183669
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…