2,8-Bis[(morpholin-4-yl)methyl]-10,11-dihydro-5H-dibenzo[b,f]azepine
Basic information
- CAS
64097-61-6- Standard SMILES
c1cc2c(cc1CN1CCOCC1)CCc1cc(CN3CCOCC3)ccc1N2- InChIKey
GUZLLRUBBSCNAU-UHFFFAOYSA-N- Molecular formula
- C24H31N3O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.24162724
Names & identifiers
- Preferred name
- 2,8-Bis[(morpholin-4-yl)methyl]-10,11-dihydro-5H-dibenzo[b,f]azepine
- IUPAC
- 4-[[3-(morpholin-4-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl]methyl]morpholine
Names & synonyms
64097-61-6NSC365432DTXSID703208482,8-Bis[(morpholin-4-yl)methyl]-10,11-dihydro-5H-dibenzo[b,f]azepineNSC-365432
Database identifiers
- CAS
64097-61-6- PubChem CID
- 339329
- DTXSID
DTXSID70320848
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…