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Basic information
- Standard SMILES
Cc1sc2c(c1-c1ccc(NC(=O)c3c(F)cccc3F)nc1)CCCC2- InChIKey
QVFNQDQTTZGLFO-UHFFFAOYSA-N- Molecular formula
- C21H18F2N2OS
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.1107907
Names & identifiers
- Preferred name
- 2,6-difluoro-N-(5-(2-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)pyridin-2-yl)benzamide
- IUPAC
- 2,6-difluoro-N-[5-(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-2-pyridinyl]benzamide
Names & synonyms
SCHEMBL1701175QVFNQDQTTZGLFO-UHFFFAOYSA-N2,6-difluoro-N-(5-(2-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)pyridin-2-yl)benzamide
Database identifiers
- PubChem CID
- 58487541
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
4 records
Compound notes
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