ChemSpider 2D Image | J4AM5D708G | C22H22ClN5O4S2

J4AM5D708G

  • Molecular FormulaC22H22ClN5O4S2
  • Average mass520.024 Da
  • Monoisotopic mass519.080200 Da
  • ChemSpider ID48481

More details:

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

1-Piperazinecarboxylic acid, 4-(1-oxopropyl)-, 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 [ACD/Index Name]
278-486-0 [EINECS]
4-(1-Oxopropyl)-1-piperazinecarboxylic acid (±)-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
4-Propionyl-1-pipérazinecarboxylate de 6-(7-chloro-1,8-naphtyridin-2-yl)-7-oxo-2,3,6,7-tétrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yle [French] [ACD/IUPAC Name]
4-Propionyl-1-piperazinecarboxylic acid ester with (±)-6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5H-p-dithiino[2,3-c]pyrrol-5-one
6-(7-Chlor-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl-4-propionyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
6-(7-Chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-propionyl-1-piperazinecarboxylate [ACD/IUPAC Name]
77590-92-2 [RN]
G37 162 R.P.
J4AM5D708G
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5112 [DBID]
RP 37162 [DBID]
RP-37162 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.738
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.74
ACD/KOC (pH 5.5): 1188.39
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.79
ACD/KOC (pH 7.4): 1188.77
Polar Surface Area: 147 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 329.5±5.0 cm3

Click to predict properties on the Chemicalize site


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