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
- Formal charge
- 0
- Complexity
- 909
Related reactions
6 records
Compound notes
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