Basic information
- Standard SMILES
CCN(CCCCCCNC(=O)CCCCC1CCSS1)Cc1ccccc1OC- InChIKey
PAPNIDWABUXIRG-UHFFFAOYSA-N- Molecular formula
- C24H40N2O2S2
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.25312087
Names & identifiers
- Preferred name
- 5-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxy-benzyl)-amino]-hexyl}-amide
- IUPAC
- 5-(dithiolan-3-yl)-N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]pentanamide
Names & synonyms
CHEMBL1912062SCHEMBL14341606PAPNIDWABUXIRG-UHFFFAOYSA-NBDBM503558165-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxy-benzyl)-amino]-hexyl}-amide5-[1,2]dithiolan-3-yl-pentanoic acid {6-[Ethyl-(2-methoxybenzyl)-amino]-hexyl}-amide
Database identifiers
- PubChem CID
- 11698149
- ChEMBL
CHEMBL1912062
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 453
Related reactions
2 records
Compound notes
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