6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-isoxazolo[5,4-c]pyrido[3,2-e]azepine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc2c(n1)C(c1ccc(Cl)cc1)=NCc1onc(C)c1-2- InChIKey
OTLBDWXRFAJFEC-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O2
- Average molar mass
- 339.8 g/mol
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-isoxazolo[5,4-c]pyrido[3,2-e]azepine
- IUPAC
- 9-(4-chlorophenyl)-12-methoxy-3-methyl-5-oxa-4,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaene
Names & synonyms
SCHEMBL9886831OTLBDWXRFAJFEC-UHFFFAOYSA-N6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-isoxazolo[5,4-c]pyrido[3,2-e]azepine
Database identifiers
- PubChem CID
- 67951306
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
Loading…