tert-butyl 2-ethoxycarbonylmethyl-5,5-dioxo-5H-phenothiazine-10-carboxylate

HCID 59340981
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Basic information

Standard SMILES
CCOC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)c1ccccc1S2(=O)=O
InChIKey
XFPJEHFUDWLLEU-UHFFFAOYSA-N
Molecular formula
C21H23NO6S
Average molar mass
417.5 g/mol

Names & identifiers

Preferred name
tert-butyl 2-ethoxycarbonylmethyl-5,5-dioxo-5H-phenothiazine-10-carboxylate
IUPAC
tert-butyl 2-(2-ethoxy-2-oxoethyl)-5,5-dioxophenothiazine-10-carboxylate

Names & synonyms

SCHEMBL3065112XFPJEHFUDWLLEU-UHFFFAOYSA-Ntert-butyl 2-ethoxycarbonylmethyl-5,5-dioxo-5H-phenothiazine-10-carboxylate

Database identifiers

PubChem CID
59340981

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
98.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

4 records
New reaction record

Linked notes

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