Basic information
- Standard SMILES
C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1ccc2c(c1)SC(C)(C)S2- InChIKey
PKNNHCFSTVPEFW-FBMGVBCBSA-N- Molecular formula
- C24H29NO2S2
- Average molar mass
- 427.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-[p-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)propenyl]phenoxy]ethyl]morpholine
- IUPAC
- 4-[2-[4-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)prop-1-enyl]phenoxy]ethyl]morpholine
Names & synonyms
SCHEMBL9147163PKNNHCFSTVPEFW-FBMGVBCBSA-N4-[2-[p-[(E)-2-(2,2-dimethyl-1,3-benzodithiol-5-yl)propenyl]phenoxy]ethyl]morpholine
Database identifiers
- PubChem CID
- 86744962
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
3 records
Compound notes
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