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Basic information
- Standard SMILES
COC(=O)C1(c2ccc(-c3ccc(-c4nc(C(N)=O)c(C)nc4C)cc3)c(Cl)c2)CCC1- InChIKey
YZALPCVPZISFGP-UHFFFAOYSA-N- Molecular formula
- C25H24ClN3O3
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.1506193
Names & identifiers
- Preferred name
- Methyl 1-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)cyclobutanecarboxylate
- IUPAC
- methyl 1-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-3-chlorophenyl]cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL2124822YZALPCVPZISFGP-UHFFFAOYSA-Nmethyl 1-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)cyclobutanecarboxylate
Database identifiers
- PubChem CID
- 59627699
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Related reactions
4 records
Compound notes
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