Methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]-3-hydroxypropanoate
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Basic information
- Standard SMILES
COC(=O)C(CO)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2F)c(Cl)c1- InChIKey
DRSRZJGXFYXOIE-UHFFFAOYSA-N- Molecular formula
- C23H21ClFN3O4
- Average molar mass
- 457.9 g/mol
- Monoisotopic mass
- 457.120462
Names & identifiers
- Preferred name
- Methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]-3-hydroxypropanoate
- IUPAC
- methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]-3-hydroxypropanoate
Names & synonyms
SCHEMBL2126395DRSRZJGXFYXOIE-UHFFFAOYSA-Nmethyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chloro-2'-fluorobiphenyl-4-yl)-3-hydroxypropanoatemethyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]-3-hydroxypropanoate
Database identifiers
- PubChem CID
- 59627634
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
4 records
Compound notes
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