Basic information
- Standard SMILES
COc1ccc(-c2cc(=O)[nH]c(=S)n2CC(=O)NCCNC(=O)OC(C)(C)C)c(OC)c1- InChIKey
XOAKIEBYQKGXPZ-UHFFFAOYSA-N- Molecular formula
- C21H28N4O6S
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (2-(2-(6-(2,4-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)ethyl)carbamate
- IUPAC
- tert-butyl N-[2-[[2-[6-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetyl]amino]ethyl]carbamate
Names & synonyms
SCHEMBL14947124XOAKIEBYQKGXPZ-UHFFFAOYSA-NDB-1890341435472-92-6tert-Butyl (2-(2-(6-(2,4-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1 (2H)-yl)acetamido)ethyl)carbamatetert-Butyl (2-(2-(6-(2,4-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)ethyl)carbamateTert-butyl 2-(2-(3,4-dihydro-6-(2,4-dimethoxyphenyl)-4-oxo-2-thioxopyrimidin-1(2h)-yl)acetamido)ethylcarbamate
Database identifiers
- PubChem CID
- 86684698
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 751
Related reactions
6 records
Compound notes
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