[(S)-2-((S)-8-Azidomethyl-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)-1-methyl-ethyl]-carbamic acid tert-butyl ester

HCID 86605341
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Basic information

Standard SMILES
C[C@@H](Cn1ncc2ccc3c(c21)O[C@@H](CN=[N+]=[N-])CO3)NC(=O)OC(C)(C)C
InChIKey
BNVJWFZDZXDJLP-AAEUAGOBSA-N
Molecular formula
C18H24N6O4
Average molar mass
388.4 g/mol

Names & identifiers

Preferred name
[(S)-2-((S)-8-Azidomethyl-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)-1-methyl-ethyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(2S)-1-[(8S)-8-(azidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate

Names & synonyms

BNVJWFZDZXDJLP-AAEUAGOBSA-N[(S)-2-((S)-8-Azidomethyl-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)-1-methyl-ethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
86605341

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
89 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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