Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2)C1- InChIKey
YIUWVWNZMHXKJJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.13511374
Names & identifiers
- Preferred name
- 2-amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-amino-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Names & synonyms
SCHEMBL4065123YIUWVWNZMHXKJJ-UHFFFAOYSA-N2-amino-3-benzoyl-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl estertert-Butyl 2-amino-3-benzoyl-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate, AldrichCPR
Database identifiers
- PubChem CID
- 68898612
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
2 records
Compound notes
Loading…