Basic information
- CAS
104732-19-6- Standard SMILES
c1ccc2c(c1)CSc1ccccc1C2=C1CC2CCC(C1)N2- InChIKey
GVWNTVLGPGKJBC-UHFFFAOYSA-N- Molecular formula
- C21H21NS
- Average molar mass
- 319.5 g/mol
- Monoisotopic mass
- 319.13947085
Names & identifiers
- Preferred name
- Nortropatepine
- IUPAC
- 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
Names & synonyms
104732-19-6Nortropatepine3-(dibenzo[b,e]thiepin-11(6h)-ylidene)-8-azabicyclo[3.2.1]octaneDTXSID009091608-Azabicyclo(3.2.1)octane, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-
Database identifiers
- CAS
104732-19-6- PubChem CID
- 184366
- DTXSID
DTXSID00909160
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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