Basic information
- Standard SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1NC1CCC(n2ccnn2)CC1- InChIKey
GSVOVRREKYZZNE-UHFFFAOYSA-N- Molecular formula
- C20H26N4O2S
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- 5-(3,3-Dimethyl-but-1-ynyl)-3-(4-[1,2,3]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-[[4-(triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL101590GSVOVRREKYZZNE-UHFFFAOYSA-N5-(3,3-dimethyl-but-1-ynyl)-3-(4-[1,2,3]triazol-1-yl-cyclohexylamino)-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 24988980
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 586
Related reactions
9 records
Compound notes
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