Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(-n2cc(Cl)nc(N3CCN(C)CC3)c2=O)c1- InChIKey
LJFBDXCQJFQKIB-UHFFFAOYSA-N- Molecular formula
- C18H21ClN4O3
- Average molar mass
- 376.8 g/mol
Names & identifiers
- Preferred name
- 3-[5-Chloro-3-(4-methyl-1-piperazinyl)-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzoic acid, methyl ester
- IUPAC
- methyl 3-[5-chloro-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-4-methylbenzoate
Names & synonyms
LJFBDXCQJFQKIB-UHFFFAOYSA-N3-[5-Chloro-3-(4-methyl-1-piperazi nyl)-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzoic acid, methyl ester3-[5-Chloro-3-(4-methyl-1-piperazinyl)-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzoic acid, methyl ester
Database identifiers
- PubChem CID
- 86663237
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 628
Related reactions
6 records
Compound notes
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