Basic information
- Standard SMILES
CCOC(=O)C1CCc2ccc(OCc3nc4cc(F)ccc4s3)cc2O1- InChIKey
DVLCPCZVTIPEJJ-UHFFFAOYSA-N- Molecular formula
- C20H18FNO4S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.09405739
Names & identifiers
- Preferred name
- 2-Ethoxycarbonyl-7-(5-fluorobenzothiazol-2-ylmethoxy)chroman
- IUPAC
- ethyl 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
Names & synonyms
SCHEMBL9339317DVLCPCZVTIPEJJ-UHFFFAOYSA-N2-ethoxycarbonyl-7-(5-fluorobenzothiazol-2-ylmethoxy)chroman
Database identifiers
- PubChem CID
- 19019503
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
1 records
Compound notes
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