N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic information
- CAS
851183-72-7- Standard SMILES
COc1cccc(CN(C)C(=O)c2csc3c2CCCC3)c1OC- InChIKey
LEVXFEJWWNZVOH-UHFFFAOYSA-N- Molecular formula
- C19H23NO3S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.13986477
Names & identifiers
- Preferred name
- N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideMLS000807114CHEMBL1582237DTXSID301326165HMS2683G15AKOS033980599851183-72-7SMR000376204Z26882417
Database identifiers
- CAS
851183-72-7- PubChem CID
- 4879883
- DTXSID
DTXSID301326165- ChEMBL
CHEMBL1582237
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility46.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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