(4S,4'S)-1,1'-(1,4-Butanediyl)bis(hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one)
Basic information
- CAS
20410-93-9- Standard SMILES
CN1CCCN(CCCCN2CCCN(C)[C@H](c3ccccc3)CC2=O)C(=O)C[C@H]1c1ccccc1- InChIKey
LNCIXDIFZNXBDP-NSOVKSMOSA-N- Molecular formula
- C30H42N4O2
- Average molar mass
- 490.7 g/mol
- Monoisotopic mass
- 490.3307766
Overview
Homaline is a member of benzenes.
Names & identifiers
- Preferred name
- (4S,4'S)-1,1'-(1,4-Butanediyl)bis(hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one)
- IUPAC
- (4S)-5-methyl-1-[4-[(4S)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-one
Names & synonyms
Homaline20410-93-9(4S)-5-methyl-1-[4-[(4S)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl]-4-phenyl-1,5-diazocan-2-oneDTXSID80331980(4S)-5-methyl-1-(4-((4S)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl)butyl)-4-phenyl-1,5-diazocan-2-oneRefChem:906159DTXCID60283074(4S,4'S)-1,1'-(1,4-Butanediyl)bis(hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one)C10599AC1L9DJ2SureCN6308780CHEBI:5746
Show more names
SCHEMBL6308780Q27106877(4S,4'S)-1,1'-(Butane-1,4-diyl)bis(5-methyl-4-phenyl-1,5-diazocan-2-one)
Database identifiers
- CAS
20410-93-9- PubChem CID
- 442860
- DTXSID
DTXSID80331980- ChEBI
CHEBI:5746- Nikkaji
- J1.969.624C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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