Basic information
- CAS
62672-10-0- Standard SMILES
CCCCCC(=O)C=Cc1scnc1CCCCCCC(=O)OC- InChIKey
UWSZHRIGXFNGCU-UHFFFAOYSA-N- Molecular formula
- C19H29NO3S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.18681479
Names & identifiers
- Preferred name
- Methyl 7-[5-(3-oxooct-1-en-1-yl)-1,3-thiazol-4-yl]heptanoate
- IUPAC
- methyl 7-[5-(3-oxooct-1-enyl)-1,3-thiazol-4-yl]heptanoate
Names & synonyms
62672-10-0SCHEMBL11739789DTXSID40710939Methyl 7-[5-(3-oxooct-1-en-1-yl)-1,3-thiazol-4-yl]heptanoate
Database identifiers
- CAS
62672-10-0- PubChem CID
- 54376325
- DTXSID
DTXSID40710939
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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