Basic information
- CAS
65726-83-2- Standard SMILES
O=C1C=C(SCCCC(=O)N2CCOCC2)C(=O)c2ccccc21- InChIKey
RORXZBTYFBWJQC-UHFFFAOYSA-N- Molecular formula
- C18H19NO4S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.10347926
Names & identifiers
- Preferred name
- 2-(4-Morpholin-4-yl-4-oxobutyl)sulfanylnaphthalene-1,4-dione
- IUPAC
- 2-(4-morpholin-4-yl-4-oxobutyl)sulfanylnaphthalene-1,4-dione
Names & synonyms
65726-83-22-(4-morpholin-4-yl-4-oxobutyl)sulfanylnaphthalene-1,4-dioneNSC270013DTXSID70313412NSC-2700132-{[4-(MORPHOLIN-4-YL)-4-OXOBUTYL]SULFANYL}NAPHTHALENE-1,4-DIONE
Database identifiers
- CAS
65726-83-2- PubChem CID
- 320882
- DTXSID
DTXSID70313412
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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