5-(3,3-dimethyl-but-1-ynyl)-3-[N'-methyl-N-(4-methyl-cyclohexanecarbonyl)-N'-(2,2,2-trifluoro-acetyl)-hydrazino]-thiophene-2-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)N(C)C(=O)C(F)(F)F- InChIKey
ZGHMEDGRAPFDFM-UHFFFAOYSA-N- Molecular formula
- C23H29F3N2O4S
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- 5-(3,3-dimethyl-but-1-ynyl)-3-[N'-methyl-N-(4-methyl-cyclohexanecarbonyl)-N'-(2,2,2-trifluoro-acetyl)-hydrazino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[methyl-(2,2,2-trifluoroacetyl)amino]amino]thiophene-2-carboxylate
Names & synonyms
5-(3,3-dimethyl-but-1-ynyl)-3-[N'-methyl-N-(4-methyl-cyclohexanecarbonyl)-N'-(2,2,2-trifluoro-acetyl)-hydrazino]-thiophene-2-carboxylic acid methyl esterSCHEMBL2219372
Database identifiers
- PubChem CID
- 86655596
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 819
Related reactions
3 records
Compound notes
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