Basic information
- Standard SMILES
CN(C)CC#Cc1ccc(-c2ccc(Cl)cc2)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1- InChIKey
DQPYPSBDFLUXDF-UHFFFAOYSA-N- Molecular formula
- C27H34ClN3O2
- Average molar mass
- 468 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-((4'-chloro-4-(3-(dimethylamino)prop-1-ynyl)biphenyl-2-yl)methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[2-(4-chlorophenyl)-5-[3-(dimethylamino)prop-1-ynyl]phenyl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1957456DQPYPSBDFLUXDF-UHFFFAOYSA-Ntert-butyl 4-((4'-chloro-4-(3-(dimethylamino)prop-1-ynyl)biphenyl-2-yl)methyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67226908
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 691
Related reactions
7 records
Compound notes
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