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Basic information
- Standard SMILES
COc1ccc2c(c1CN1CCN(C(=O)OC(C)(C)C)CC1)O/C(=C\c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)C2=O- InChIKey
WNAMBBMQLGNNPV-GTWSWNCMSA-N- Molecular formula
- C35H37N3O7S
- Average molar mass
- 643.7 g/mol
- Monoisotopic mass
- 643.2352217
Names & identifiers
- Preferred name
- tert-butyl (Z)-4-({6-methoxy-3-oxo-2-[(1-tosyl-1H-indol-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(2Z)-6-methoxy-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-3-oxo-1-benzofuran-7-yl]methyl]piperazine-1-carboxylate
Names & synonyms
WNAMBBMQLGNNPV-GTWSWNCMSA-Ntert-butyl (Z)-4-({6-methoxy-3-oxo-2-[(1-tosyl-1H-indol-3-yl)methylene]-2,3-dihydrobenzofuran-7-yl}methyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86682012
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
2 records
Compound notes
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