tert-butyl 2-(6-(morpholine-4-carbonyl)-2-morpholino-4-oxo-4H-chromen-8-yl)pyrrolidine-1-carboxylate

HCID 86672425

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCCC1c1cc(C(=O)N2CCOCC2)cc2c(=O)cc(N3CCOCC3)oc12
InChIKey: YJGCTIYAIJMOEV-UHFFFAOYSA-N
Molecular formula: C27H35N3O7
Average molar mass: 513.6 g/mol

Names & identifiers

Preferred name: tert-butyl 2-(6-(morpholine-4-carbonyl)-2-morpholino-4-oxo-4H-chromen-8-yl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl 2-[6-(morpholine-4-carbonyl)-2-morpholin-4-yl-4-oxochromen-8-yl]pyrrolidine-1-carboxylate

Names & synonyms

tert-butyl 2-(6-(morpholine-4-carbonyl)-2-morpholino-4-oxo-4H-chromen-8-yl)pyrrolidine-1-carboxylateSCHEMBL13276455YJGCTIYAIJMOEV-UHFFFAOYSA-N1403458-75-2DB-335585

Database identifiers

PubChem CID: 86672425

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 97.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 904

Related reactions

4 records

New reaction record

HRID 41203As productuspto-grants-2013_09

HRID 41204As reactantuspto-grants-2013_09

HRID 114180As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2347516As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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