ChemSpider 2D Image | 6-(7-Chloro-1,8-naphthyridin-2-yl)-1-oxido-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-1-piperazinecarboxylate 4-oxide | C20H20ClN5O5S2

6-(7-Chloro-1,8-naphthyridin-2-yl)-1-oxido-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-1-piperazinecarboxylate 4-oxide

  • Molecular FormulaC20H20ClN5O5S2
  • Average mass509.986 Da
  • Monoisotopic mass509.059448 Da
  • ChemSpider ID2343030

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxylic acid, 4-methyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-1-oxido-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl ester, 4-oxide [ACD/Index Name]
4-Oxyde de 4-méthyl-1-pipérazinecarboxylate de 6-(7-chloro-1,8-naphtyridin-2-yl)-7-oxo-1-oxydo-2,3,6,7-tétrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yle [French] [ACD/IUPAC Name]
6-(7-Chlor-1,8-naphthyridin-2-yl)-1-oxido-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl-4-methyl-1-piperazincarboxylat-4-oxid [German] [ACD/IUPAC Name]
6-(7-Chloro-1,8-naphthyridin-2-yl)-1-oxido-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-1-piperazinecarboxylate 4-oxide [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-methyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl ester, S-oxide
94342-73-1 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RP 46166 [DBID]
RP-46166 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.07
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.19
Polar Surface Area: 154 Å2
Polarizability:
Surface Tension:
Molar Volume:

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