2-Amino-5-(4-benzyloxy-1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3,6-dicarboxylic acid di-tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1C(=O)c3cccc(OCc4ccccc4)c3C1=O)N(C(=O)OC(C)(C)C)C2- InChIKey
OHAXWIGHNHOAQN-UHFFFAOYSA-N- Molecular formula
- C33H37N3O7S
- Average molar mass
- 619.7 g/mol
Names & identifiers
- Preferred name
- 2-Amino-5-(4-benzyloxy-1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3,6-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl 2-amino-5-[(1,3-dioxo-4-phenylmethoxyisoindol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Names & synonyms
SCHEMBL5838602OHAXWIGHNHOAQN-UHFFFAOYSA-N2-amino-5-(4-benzyloxy-1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3,6-dicarboxylic acid di-tert-butyl ester
Database identifiers
- PubChem CID
- 69586002
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
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Related reactions
2 records
Compound notes
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