N-butyropyrrothine

AlkaPlorer ID: AK044389

Synonym: None

IUPAC Name: N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)butanamide

Structure

SMILES: CCCC(O)=NC1=C2SSC=C2N(C)C1=O

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InChI: InChI=1S/C10H12N2O2S2/c1-3-4-7(13)11-8-9-6(5-15-16-9)12(2)10(8)14/h5H,3-4H2,1-2H3,(H,11,13)

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InChIKey: QIJIZYBAHPRLHJ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 256.352

TPSA: 54.59

MolLogP: 3.0012000000000016

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information