7-(3,4-diethoxyphenyl)-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
Basic information
- Standard SMILES
CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1OCC- InChIKey
BDJJMJXOSGAPNW-UHFFFAOYSA-N- Molecular formula
- C34H40N2O6S
- Average molar mass
- 604.8 g/mol
Names & identifiers
- Preferred name
- 7-(3,4-diethoxyphenyl)-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
- IUPAC
- 7-(3,4-diethoxyphenyl)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepine-4-carboxamide
Names & synonyms
SCHEMBL7958980BDJJMJXOSGAPNW-UHFFFAOYSA-N7-(3,4-diethoxyphenyl)-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
- 21995666
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
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Related reactions
2 records
Compound notes
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