Methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxobutyl]sulfanyl}benzoate
Basic information
- CAS
67425-98-3- Standard SMILES
COC(=O)c1ccc(SCCC(=O)CN2C(=O)c3ccccc3C2=O)cc1- InChIKey
DAJSNWKADSBBIS-UHFFFAOYSA-N- Molecular formula
- C20H17NO5S
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.08274382
Names & identifiers
- Preferred name
- Methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxobutyl]sulfanyl}benzoate
- IUPAC
- methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-oxobutyl]sulfanylbenzoate
Names & synonyms
67425-98-3NSC319768DTXSID80317683NSC-319768Methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxobutyl]sulfanyl}benzoate
Database identifiers
- CAS
67425-98-3- PubChem CID
- 330645
- DTXSID
DTXSID80317683
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 575
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Related reactions
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Compound notes
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