Basic information
- Standard SMILES
COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CN2C(=O)c3ccccc3C2=O)cc1- InChIKey
ADKBMEDICPALCW-UHFFFAOYSA-N- Molecular formula
- C29H31N3O5S
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- 2-Amino-7-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-amino-7-[(1,3-dioxoisoindol-2-yl)methyl]-6-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Names & synonyms
SCHEMBL5771550ADKBMEDICPALCW-UHFFFAOYSA-N2-amino-7-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69560472
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 877
Related reactions
2 records
Compound notes
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