Basic information
- Standard SMILES
CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(n3ccnn3)CC2)CC1- InChIKey
UJJWIWKVHFEOGC-UHFFFAOYSA-N- Molecular formula
- C27H36N4O3S
- Average molar mass
- 496.7 g/mol
Names & identifiers
- Preferred name
- 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(trans-4-[1,2,3]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid
- IUPAC
- 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL101595SCHEMBL134310SCHEMBL135303UJJWIWKVHFEOGC-IFSQOONMSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(trans-4-[1,2,3]triazol-1-yl-cyclohexyl)-amino]-thiophene-2-carboxylic acid5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-(trans-4-[1,2,3]triazol-1-yl-cyclohexyl)-amino]thiophene-2-carboxylic Acid
Database identifiers
- PubChem CID
- 24988977
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
Related reactions
1 records
Compound notes
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