Basic information
- Standard SMILES
COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C(C)C- InChIKey
FKSYKJKBAIOVLP-UHFFFAOYSA-N- Molecular formula
- C17H24BrNO3S
- Average molar mass
- 402.3 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-3-[isopropyl-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-bromo-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2157865SCHEMBL15498328FKSYKJKBAIOVLP-HAQNSBGRSA-NFKSYKJKBAIOVLP-UHFFFAOYSA-N5-Bromo-3-[isopropyl-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-bromo-3-[isopropyl-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 20775768
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
4 records
Compound notes
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