Basic information
- Standard SMILES
COC(=O)CSCCCCN(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C(C)C- InChIKey
OKLCIIGIOSUVLV-UHFFFAOYSA-N- Molecular formula
- C26H31N3O2S
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butylthio}acetic Acid Methyl Ester
- IUPAC
- methyl 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butylsulfanyl]acetate
Names & synonyms
SCHEMBL5213131OKLCIIGIOSUVLV-UHFFFAOYSA-N2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butylthio}acetic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69354987
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 535
Related reactions
4 records
Compound notes
Loading…