Basic information
- CAS
91285-82-4- Standard SMILES
COCNC(=S)c1ccc(C(N)=O)nc1C(=O)NC(C)(C)C- InChIKey
QAWFVYWNYURZCG-UHFFFAOYSA-N- Molecular formula
- C14H20N4O3S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.12561169
Names & identifiers
- Preferred name
- 2-N-tert-butyl-3-(methoxymethylcarbamothioyl)pyridine-2,6-dicarboxamide
- IUPAC
- 2-N-tert-butyl-3-(methoxymethylcarbamothioyl)pyridine-2,6-dicarboxamide
Names & synonyms
NSC38216491285-82-42-N-tert-butyl-3-(methoxymethylcarbamothioyl)pyridine-2,6-dicarboxamideDTXSID80393765NSC-382164DS-012646N~2~-tert-Butyl-3-[(methoxymethyl)carbamothioyl]pyridine-2,6-dicarboxamideN2-tert-butyl-3-(methoxymethylcarbamothioyl)pyridine-2,6-dicarboxamide2,6-Pyridinedicarboxamide,n2-(1,1-dimethylethyl)-3-[[(methoxymethyl)amino]thioxomethyl]-N(2)-(Tert-butyl)-3-{[(methoxymethyl)amino]carbonothioyl}pyridine-2,6-dicarboxamide
Database identifiers
- CAS
91285-82-4- PubChem CID
- 3572002
- DTXSID
DTXSID80393765
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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