Basic information
- CAS
95110-29-5- Standard SMILES
COc1ccc(CCN2CC(=O)N3CSCC3C2=O)cc1OC- InChIKey
OKOCADMEUZRBJA-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- 3H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-7-(2-(3,4-dimethoxyphenyl)ethyl)-
- IUPAC
- 7-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Names & synonyms
Tetrahydro-7-(2-(3,4-dimethoxyphenyl)ethyl)-3H-thiazolo(3,4-a)pyrazine-5,8-dione95110-29-53H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-7-(2-(3,4-dimethoxyphenyl)ethyl)-RefChem:2833327-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dioneNSC608716DTXSID70915112NSC-6087167-[2-(3,4-Dimethoxyphenyl)ethyl]tetrahydro-3H-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Database identifiers
- CAS
95110-29-5- PubChem CID
- 355358
- DTXSID
DTXSID70915112
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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