7-[(Pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cc2cccc(NC(=O)c3cccnc3)c2s1- InChIKey
NFYQJYHJVWZZAA-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.05686342
Names & identifiers
- Preferred name
- 7-[(Pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 7-(pyridine-3-carbonylamino)-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL3255235NFYQJYHJVWZZAA-UHFFFAOYSA-N7-[(pyridine-3-carbonyl)-amino]-benzo[b]thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 57722464
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
2 records
Compound notes
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