Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester
Basic information
- CAS
17656-15-4- Standard SMILES
O=C(OC1CN2CCC1CC2)N1c2ccccc2Sc2ccccc21- InChIKey
UBNXMDIGLOZCMS-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.12454906
Names & identifiers
- Preferred name
- Phenothiazine-10-carboxylic acid, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl phenothiazine-10-carboxylate
Names & synonyms
3-Quinuclidinyl phenothiazine-10-carboxylate17656-15-4BRN 1165632Phenothiazine-10-carboxylic acid, 3-quinuclidinyl esterRefChem:369566DTXSID509388091-AZABICYCLO[2.2.2]OCTAN-3-YL 10H-PHENOTHIAZINE-10-CARBOXYLATE
Database identifiers
- CAS
17656-15-4- PubChem CID
- 205228
- DTXSID
DTXSID50938809
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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