6,8-Bis(4-methoxyphenyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
Basic information
- CAS
63696-76-4- Standard SMILES
COc1ccc(C2NC(c3ccc(OC)cc3)C3CSCC2C3=O)cc1- InChIKey
BEEQHMOEGFZQDO-UHFFFAOYSA-N- Molecular formula
- C21H23NO3S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.13986477
Names & identifiers
- Preferred name
- 6,8-Bis(4-methoxyphenyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
- IUPAC
- 6,8-bis(4-methoxyphenyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
Names & synonyms
63696-76-46,8-Bis(4-methoxyphenyl)-3-thia-7-azabicyclo[3.3.1]nonan-9-oneDTXSID30494610
Database identifiers
- CAS
63696-76-4- PubChem CID
- 12367409
- DTXSID
DTXSID30494610
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 446
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…