7-((1,1-Dimethylethoxy)carbonyl)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-8-(2-((triphenylmethyl)thio)ethyl)-imidazo[1,2-a]pyrazine

HCID 22016834

Basic information

Standard SMILES
COc1ccccc1-c1cn2c(n1)C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)CC2
InChIKey
VLACJMQSJVGWPW-UHFFFAOYSA-N
Molecular formula
C39H41N3O3S
Average molar mass
631.8 g/mol
Monoisotopic mass
631.28686335

Names & identifiers

Preferred name
7-((1,1-Dimethylethoxy)carbonyl)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-8-(2-((triphenylmethyl)thio)ethyl)-imidazo[1,2-a]pyrazine
IUPAC
tert-butyl 2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

Names & synonyms

SCHEMBL2787790VLACJMQSJVGWPW-UHFFFAOYSA-N7-((1,1-Dimethylethoxy)carbonyl)-2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-8-(2-((triphenylmethyl)thio)ethyl)-imidazo[1,2-a]pyrazine

Database identifiers

PubChem CID
22016834

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
81.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
46

Related reactions

6 records

Compound notes

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