[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate

CAS: 76535-71-2

Molecular Formula	`C22H22ClN5O4S2`
Molecular Weight	520.0 g/mol
LogP	2.7
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	519.0802
Heavy Atoms	34
Complexity	868.0

Chemical Identifiers

CAS Number	76535-71-2
SMILES	`CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3`
InChIKey	`IBAUKGNDWVSETP-UHFFFAOYSA-N`

📖 Product Overview

[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate (CAS: 76535-71-2) is a chemical compound with molecular formula C22H22ClN5O4S2 and molecular weight 520.0 g/mol. Its IUPAC systematic name is [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate. LogP 2.7 Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 519.0802 Heavy Atoms 34 Complexity 868.0 InChI Key: IBAUKGNDWVSETP-UHFFFAOYSA-N. SMILES: CCC(=O)N1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate.

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