Basic information
- Standard SMILES
CCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1F- InChIKey
CFTLDVHORZZKCQ-UHFFFAOYSA-N- Molecular formula
- C34H39FN2O6S
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.2512863
Names & identifiers
- Preferred name
- 7-[4-(2-ethoxyethoxy)-3-fluorophenyl]-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
- IUPAC
- 7-[4-(2-ethoxyethoxy)-3-fluorophenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepine-4-carboxamide
Names & synonyms
SCHEMBL7971898CFTLDVHORZZKCQ-UHFFFAOYSA-N7-[4-(2-ethoxyethoxy)-3-fluorophenyl]-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Database identifiers
- PubChem CID
- 21995926
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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