Basic information
- Standard SMILES
COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)cc1- InChIKey
XBBAKWBRWIOYEU-UHFFFAOYSA-N- Molecular formula
- C33H40N4O5S
- Average molar mass
- 604.8 g/mol
Names & identifiers
- Preferred name
- 2-amino-6-(4-methoxy-benzyl)-5-((2-(5-methoxy-2-methyl-1H-indol-3-yl)acetylamino)methyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-amino-5-[[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]methyl]-6-[(4-methoxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Names & synonyms
SCHEMBL5838311XBBAKWBRWIOYEU-UHFFFAOYSA-N2-amino-6-(4-methoxy-benzyl)-5-((2-(5-methoxy-2-methyl-1H-indol-3-yl)acetylamino)methyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69585902
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 956
Related reactions
2 records
Compound notes
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