Basic information
- Standard SMILES
COC(=O)Cc1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1- InChIKey
UWLXKESOTZRVMA-UHFFFAOYSA-N- Molecular formula
- C21H24N4O3
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-(3-(cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)phenyl)acetate
- IUPAC
- methyl 2-[4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]acetate
Names & synonyms
SCHEMBL481799UWLXKESOTZRVMA-UHFFFAOYSA-NMethyl 2-(4-(3-(cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)phenyl)acetate
Database identifiers
- PubChem CID
- 66699783
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 558
Related reactions
3 records
Compound notes
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