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Basic information
- Standard SMILES
CCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCS3(=O)=O)cc1- InChIKey
LGZQXRCBBPNGSF-UHFFFAOYSA-N- Molecular formula
- C22H24O6S
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- Methyl 7-[4-(2-ethoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate
- IUPAC
- methyl 7-[4-(2-ethoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepine-4-carboxylate
Names & synonyms
SCHEMBL7968606LGZQXRCBBPNGSF-UHFFFAOYSA-Nmethyl 7-[4-(2-ethoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate
Database identifiers
- PubChem CID
- 21995802
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 672
Related reactions
4 records
Compound notes
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