Basic information
- Standard SMILES
Cc1cc(N)c2c(-c3cccc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C)sc2n1- InChIKey
VPJMKUJWPUZCSB-UHFFFAOYSA-N- Molecular formula
- C24H30N4O2S
- Average molar mass
- 438.6 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL12599786VPJMKUJWPUZCSB-UHFFFAOYSA-N1,1-Dimethylethyl 4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 68323722
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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