ChemSpider 2D Image | (5R)-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-methyl-1-piperazinecarboxylate | C20H20ClN5O3S2

(5R)-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-methyl-1-piperazinecarboxylate

  • Molecular FormulaC20H20ClN5O3S2
  • Average mass477.987 Da
  • Monoisotopic mass477.069611 Da
  • ChemSpider ID34992100

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-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-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(5R)-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-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-methyl-, (5R)-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]
4-Méthyl-1-pipérazinecarboxylate de (5R)-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]
258-794-1 [EINECS]
53813-83-5 [RN]
Suriclone
UNII-LNC9G689VR

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.757
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 30.14
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 46.50
ACD/KOC (pH 7.4): 509.02
Polar Surface Area: 129 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 88.6±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

Click to predict properties on the Chemicalize site


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