5-(3-Benzyloxy-1-fluoro-7-vinylnaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Basic information
- Standard SMILES
C=Cc1ccc2cc(OCc3ccccc3)c(N3CC(=O)NS3(=O)=O)c(F)c2c1- InChIKey
IAQHGCLAUJHDBH-UHFFFAOYSA-N- Molecular formula
- C21H17FN2O4S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.08930636
Names & identifiers
- Preferred name
- 5-(3-Benzyloxy-1-fluoro-7-vinylnaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-(7-ethenyl-1-fluoro-3-phenylmethoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL2888732IAQHGCLAUJHDBH-UHFFFAOYSA-N5-(3-Benzyloxy-1-fluoro-7-vinylnaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Database identifiers
- PubChem CID
- 68429321
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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