Basic information
- Standard SMILES
COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)Cc2ccc3c(c2)OCO3)cc1- InChIKey
LJNJIFOVMKOXPS-UHFFFAOYSA-N- Molecular formula
- C30H35N3O6S
- Average molar mass
- 565.7 g/mol
Names & identifiers
- Preferred name
- 2-Amino-5-((2-benzo[1,3]dioxol-5-yl-acetylamino)methyl)-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-5-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]-6-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Names & synonyms
SCHEMBL5838533LJNJIFOVMKOXPS-UHFFFAOYSA-N2-amino-5-((2-benzo[1,3]dioxol-5-yl-acetylamino)methyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69585985
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 878
Related reactions
3 records
Compound notes
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