Basic information
- Standard SMILES
CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCC(NN(C)c3ccccn3)CC2)CC1- InChIKey
DVYWQKGHPWBWRE-UHFFFAOYSA-N- Molecular formula
- C31H42N4O3S
- Average molar mass
- 550.8 g/mol
Names & identifiers
- Preferred name
- 5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(N'-methyl-N'-pyridin-2-yl-hydrazino)-cyclohexyl]-amino}-thiophene-2-carboxylic acid
- IUPAC
- 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(2-methyl-2-pyridin-2-ylhydrazinyl)cyclohexyl]amino]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL2221238SCHEMBL12439528SCHEMBL12439529DVYWQKGHPWBWRE-UHFFFAOYSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(N'-methyl-N'-pyridin-2-yl-hydrazino)-cyclohexyl]-amino}-thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 53328930
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 908
Related reactions
2 records
Compound notes
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