Basic information
- CAS
158771-80-3- Standard SMILES
COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1ccc(C[C@@H]2N=C(OC)[C@@H](C(C)C)N=C2OC)s1- InChIKey
WDQIDYNBNRXOSH-VNTMZGSJSA-N- Molecular formula
- C24H36N4O4S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.24572682
Names & identifiers
- Preferred name
- (2S,5R)-2-[[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
- IUPAC
- (2S,5R)-2-[[5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
Names & synonyms
NSC704599CHEMBL1991571DTXSID701104666NSC-704599158771-80-3NCI60_037348Pyrazine, 2,2a(2)-[2,5-thiophenediylbis(methylene)]bis[2,5-dihydro-3,6-dimethoxy-5-(1-methylethyl)-, [2S-[2I+/-(2a(2)R*,5a(2)S*),5I(2)]]-
Database identifiers
- CAS
158771-80-3- PubChem CID
- 397192
- DTXSID
DTXSID701104666- ChEMBL
CHEMBL1991571
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 731
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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