10,11-Dimethoxy-4,5,7,8-tetrahydroindolo[7,1-ab][3]benzazepine
Basic information
- CAS
40360-74-5- Standard SMILES
COc1cc2c(cc1OC)-c1cccc3c1N(CC2)CC3- InChIKey
PNYODRIVPJPSOB-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Names & identifiers
- Preferred name
- 10,11-Dimethoxy-4,5,7,8-tetrahydroindolo[7,1-ab][3]benzazepine
- IUPAC
- 4,5-dimethoxy-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
Names & synonyms
40360-74-5NSC310322DTXSID4031706810,11-Dimethoxy-4,5,7,8-tetrahydroindolo[7,1-ab][3]benzazepineNSC-310322
Database identifiers
- CAS
40360-74-5- PubChem CID
- 329162
- DTXSID
DTXSID40317068- Nikkaji
- J3.594.725F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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