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Basic information
- Standard SMILES
N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccsc2[nH]c1=O- InChIKey
ANRWADIAHDEWGP-UHFFFAOYSA-N- Molecular formula
- C17H14N4O3S
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Furan-2-carbonyl)-piperazin-1-yl]-6-oxo-6,7-dihydro-thieno[2,3-b]-pyridine-5-carbonitrile
- IUPAC
- 4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
Names & synonyms
SCHEMBL5114571ANRWADIAHDEWGP-UHFFFAOYSA-N4-[4-(furan-2-carbonyl)-piperazin-1-yl]-6-oxo-6,7-dihydro-thieno[2,3-b]-pyridine-5-carbonitrile
Database identifiers
- PubChem CID
- 69316699
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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