Methyl 3-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
Basic information
- CAS
1414377-90-4- Standard SMILES
COC(=O)c1sc(C(=O)CC(O)(c2cc(Cl)cc(Cl)c2)C(F)(F)F)c2c1CCCC2- InChIKey
NCZZHHQSXIQJQY-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2F3O4S
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.0176701
Names & identifiers
- Preferred name
- Methyl 3-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
- IUPAC
- methyl 3-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
Names & synonyms
methyl 3-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoyl)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylateSCHEMBL13857922DTXSID1011051231414377-90-4methyl 3-(3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxyl butanoyl)-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylateMethyl 3-[3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-oxobutyl]-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
Database identifiers
- CAS
1414377-90-4- PubChem CID
- 71014111
- DTXSID
DTXSID101105123
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Related reactions
5 records
Compound notes
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