Basic information
- Standard SMILES
CC1CN(Cc2cccc(-c3ccnc(Cl)n3)c2)CCN1C(=O)OC(C)(C)C- InChIKey
DHNCECXVFMVQOB-UHFFFAOYSA-N- Molecular formula
- C21H27ClN4O2
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1822538
Names & identifiers
- Preferred name
- Tert-butyl 4-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl]-2-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1467716
Database identifiers
- PubChem CID
- 87247315
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Related reactions
1 records
Compound notes
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