Methyl 2-{[(3-bromophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
302805-50-1- Standard SMILES
COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1CCCC2- InChIKey
MJMZBOLGCFQHEI-UHFFFAOYSA-N- Molecular formula
- C18H18BrNO4S
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.01399
Names & identifiers
- Preferred name
- Methyl 2-{[(3-bromophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(3-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- methyl 2-{[(3-bromophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C18H18BrNO4S
- Molecular weight
- 424.30882
Names & synonyms
methyl 2-{[(3-bromophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSCHEMBL8289522AKOS001626993methyl 2-[[2-(3-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50188279AF-399/13565034SR-01000438071SR-01000438071-1ME 2-(((3-BR-PHENOXY)AC)AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEMETHYL 2-[2-(3-BROMOPHENOXY)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEmethyl 2-[2-(3-bromophenoxy)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3 -carboxylate
Database identifiers
- CAS
302805-50-1- PubChem CID
- 978436
- EC Number
- 144-090-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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