7-[(6-Chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester
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Basic information
- CAS
616238-79-0- Standard SMILES
COC(=O)c1cc2cccc(NC(=O)c3ccc(Cl)nc3)c2s1- InChIKey
BEHXRTFKUWXQJN-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O3S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0178911
Names & identifiers
- Preferred name
- 7-[(6-Chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 7-[(6-chloropyridine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
- English name
- 7-[(6-chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene- 2-carboxylic acid methyl ester
- Molecular formula
- C16H11ClN2O3S
- Molecular weight
- 346.79
Names & synonyms
SCHEMBL3257419BEHXRTFKUWXQJN-UHFFFAOYSA-NDTXSID4011363617-[(6-chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester616238-79-0methyl 7-[(6-chloropyridine-3-carbonyl)amino]-1-benzothiophene-2-carboxylateMethyl 7-[[(6-chloro-3-pyridinyl)carbonyl]amino]benzo[b]thiophene-2-carboxylate7-[(6-chloro-pyridine-3-carbonyl)-amino]-benzo[b]thiophene- 2-carboxylic acid methyl esterBenzo[b]thiophene-2-carboxylic acid, 7-[[(6-chloro-3-pyridinyl)carbonyl]amino]-, methyl ester
Database identifiers
- CAS
616238-79-0- PubChem CID
- 57722453
- DTXSID
DTXSID401136361
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Related reactions
3 records
Compound notes
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