[2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl 4-methylbenzenesulfonate

HCID 11268854

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)OCC2COc3ccc4nc(C)oc4c3O2)cc1
InChIKey: SWEQGFOAOGITOE-UHFFFAOYSA-N
Molecular formula: C18H17NO6S
Average molar mass: 375.4 g/mol

Names & identifiers

Preferred name: [2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl 4-methylbenzenesulfonate
IUPAC: (2-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl)methyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL4368745SWEQGFOAOGITOE-UHFFFAOYSA-N[2-Methyl-7,8-dihydro[1,4]dioxino[2,3-g][1,3]benzoxazol-8-yl]methyl 4-methylbenzenesulfonate

Database identifiers

PubChem CID: 11268854

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 96.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 585

Related reactions

9 records

New reaction record

HRID 98253As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 154961As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172629As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 671840As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 835455As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1072443As productuspto-grants-2005_06

HRID 1129426As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1454309As productuspto-grants-2009_01

Compound notes

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