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[(S)-2-[7-(2-Hydroxyethylcarbamoyl)-furo[2,3-g]indazol-1-yl]-1-methylethyl]-carbamic acid benzyl ester

HCID 68854656
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[C@@H](Cn1ncc2ccc3oc(C(=O)NCCO)cc3c21)NC(=O)OCc1ccccc1
InChIKey
NFNFNKFTLVEUOQ-HNNXBMFYSA-N
Molecular formula
C23H24N4O5
Average molar mass
436.5 g/mol
Monoisotopic mass
436.17466988

Names & identifiers

Preferred name
[(S)-2-[7-(2-Hydroxyethylcarbamoyl)-furo[2,3-g]indazol-1-yl]-1-methylethyl]-carbamic acid benzyl ester
IUPAC
benzyl N-[(2S)-1-[7-(2-hydroxyethylcarbamoyl)furo[2,3-g]indazol-1-yl]propan-2-yl]carbamate

Names & synonyms

SCHEMBL3958232NFNFNKFTLVEUOQ-HNNXBMFYSA-N[(S)-2-[7-(2-Hydroxyethylcarbamoyl)-furo[2,3-g]indazol-1-yl]-1-methylethyl]-carbamic acid benzyl ester

Database identifiers

PubChem CID
68854656

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32
Formal charge
0
Complexity
644

Related reactions

1 records
New reaction record
HRID 1453896 reaction equation
HRID 1453896As productuspto-grants-2009_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes