1,1-dimethylethyl (2S)-4-({3-[5-(aminomethyl)-2-thienyl]phenyl)methyl)-2-methyl-1-piperazinecarboxylate
Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3ccc(CN)s3)c2)CCN1C(=O)OC(C)(C)C- InChIKey
BYARRXLSNQMJMM-INIZCTEOSA-N- Molecular formula
- C22H31N3O2S
- Average molar mass
- 401.6 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl (2S)-4-({3-[5-(aminomethyl)-2-thienyl]phenyl)methyl)-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[[3-[5-(aminomethyl)thiophen-2-yl]phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1631722BYARRXLSNQMJMM-INIZCTEOSA-N1,1-dimethylethyl (2S)-4-({3-[5-(aminomethyl)-2-thienyl]phenyl)methyl)-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736703
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 524
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…