Basic information
- CAS
301694-19-9- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(C)c(C)c2)sc2c1CCCC2- InChIKey
JGFGOTKTEGSEEF-UHFFFAOYSA-N- Molecular formula
- C20H23NO4S
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.13477939
Names & identifiers
- Preferred name
- Methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C20H23NO4S
- Molecular weight
- 373.47
Names & synonyms
methyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatemethyl 2-[2-(3,4-dimethylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAKOS001598843methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEU-0036784ST50182217AF-399/12447061SR-01000419524SR-01000419524-1methyl 2-[2-(3,4-dimethylphenoxy)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thioph ene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Database identifiers
- CAS
301694-19-9- PubChem CID
- 978712
- EC Number
- 144-617-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Boiling point
- 621.5 · 621.5±55.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 12.57 · 12.57±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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