Basic information
- CAS
62206-10-4- Standard SMILES
COc1cc2c(cc1OC)C1c3ccc(Cl)cc3N=C(c3ccc(-c4ccccc4)cc3)CN1CC2- InChIKey
COUHUDZVTMKHGK-UHFFFAOYSA-N- Molecular formula
- C31H27ClN2O2
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.1761058
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxy-
- IUPAC
- 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
- English name
- 6-(4-Biphenylyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquino(2,1-d)(1,4)benzodiazepine
- Molecular weight
- 0
Names & synonyms
BRN 059536862206-10-46-(4-Biphenylyl)-3-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquino(2,1-d)(1,4)benzodiazepineIsoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxy-RefChem:349871DTXSID709777906-([1,1'-Biphenyl]-4-yl)-3-chloro-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine7,9,10,14b-Tetrahydro-6-(4-biphenylyl)-3-chloro-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepine
Database identifiers
- CAS
62206-10-4- PubChem CID
- 43952
- DTXSID
DTXSID70977790- Nikkaji
- J68.824J
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…