11-Acetyl-11,12-dihydro-3-(6-methoxy-3-pyridinyl)pyrido[3,4-c][1]benzazocine
Basic information
- Standard SMILES
COc1ccc(-c2cc3c(cn2)CN(C(C)=O)c2ccccc2C=C3)cn1- InChIKey
IFBBTXUQDIGGLC-UHFFFAOYSA-N- Molecular formula
- C22H19N3O2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.14772686
Names & identifiers
- Preferred name
- 11-Acetyl-11,12-dihydro-3-(6-methoxy-3-pyridinyl)pyrido[3,4-c][1]benzazocine
- IUPAC
- 1-[3-(6-methoxy-3-pyridinyl)-12H-pyrido[3,4-c][1]benzazocin-11-yl]ethanone
Names & synonyms
SCHEMBL5043770SCHEMBL5043772IFBBTXUQDIGGLC-UHFFFAOYSA-N11-Acetyl-11,12-dihydro-3-(6-methoxy-3-pyridinyl)pyrido[3,4-c][1]benzazocine
Database identifiers
- PubChem CID
- 69291333
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
Loading…