Basic information
- CAS
62206-00-2- Standard SMILES
COc1cc2c(cc1OC)C1c3cc(Cl)ccc3N=C(c3ccccc3)CN1CC2- InChIKey
JGKYITUCSFGHGO-UHFFFAOYSA-N- Molecular formula
- C25H23ClN2O2
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.1448057
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-2-chloro-12,13-dimethoxy-6-phenyl-
- IUPAC
- 2-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
- English name
- 7,9,10,14b-Tetrahydro-2-chloro-12,13-dimethoxy-6-phenylisoquino[2,1-d][1,4]benzodiazepine
- Molecular weight
- 0
Names & synonyms
BRN 063260362206-00-22-Chloro-12,13-dimethoxy-6-phenyl-7,9,10,14-tetrahydroisoquino(2,1-d)(1,4)benzodiazepineIsoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-2-chloro-12,13-dimethoxy-6-phenyl-RefChem:3498672-chloro-12,13-dimethoxy-6-phenyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine7,9,10,14b-Tetrahydro-2-chloro-12,13-dimethoxy-6-phenylisoquino[2,1-d][1,4]benzodiazepineDTXSID00977788DB-219935
Database identifiers
- CAS
62206-00-2- PubChem CID
- 43950
- DTXSID
DTXSID00977788- Nikkaji
- J68.828B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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