Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4nc(C)ccc4c3O2)cc1- InChIKey
MYHBOPKOGIKIFF-OAHLLOKOSA-N- Molecular formula
- C20H19NO5S
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.09839388
Names & identifiers
- Preferred name
- (2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-ylmethyl 4-methylbenzenesulfonate
- IUPAC
- [(2R)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL4375219MYHBOPKOGIKIFF-OAHLLOKOSA-N(2R)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-ylmethyl 4-methyl-benzenesulfonate(2R)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-ylmethyl 4-methylbenzene sulfonate(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-ylmethyl 4-methylbenzenesulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-toluenesulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl4-methylbenzenesulfonate[(2R)-8-Methyl-2,3-Dihydro[1,4]Dioxino[2,3-f]Quinolin-2-yl]Methyl 4-Methylbenzenesulfonate
Database identifiers
- PubChem CID
- 11280604
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 598
Related reactions
19 records
Compound notes
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