Basic information
- Standard SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1NN(C)c1ccccn1- InChIKey
YRCQDPCTRSYGSL-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13544809
Names & identifiers
- Preferred name
- 5-(3,3-dimethyl-but-1-ynyl)-3-(N'-methyl-N'-pyridin-2-yl-hydrazino)-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-(2-methyl-2-pyridin-2-ylhydrazinyl)thiophene-2-carboxylate
Names & synonyms
SCHEMBL2218672YRCQDPCTRSYGSL-UHFFFAOYSA-N5-(3,3-dimethyl-but-1-ynyl)-3-(N'-methyl-N'-pyridin-2-yl-hydrazino)-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67320980
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
3 records
Compound notes
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