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

CAS: 53813-83-5

Molecular Formula	`C20H20ClN5O3S2`
Molecular Weight	478.0 g/mol
LogP	2.8
Topological Polar Surface Area	129.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	477.0696
Heavy Atoms	31
Complexity	763.0

Chemical Identifiers

CAS Number	53813-83-5
SMILES	`CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3`
InChIKey	`RMXOUBDDDQUBKD-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-methylpiperazine-1-carboxylate (CAS: 53813-83-5) is a chemical compound with molecular formula C20H20ClN5O3S2 and molecular weight 478.0 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-methylpiperazine-1-carboxylate. LogP 2.8 Topological Polar Surface Area 129.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 477.0696 Heavy Atoms 31 Complexity 763.0 InChI Key: RMXOUBDDDQUBKD-UHFFFAOYSA-N. SMILES: CN1CCN(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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