ChemSpider 2D Image | (3R)-1-[5-Chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinamine | C19H19ClN8S

(3R)-1-[5-Chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinamine

  • Molecular FormulaC19H19ClN8S
  • Average mass426.926 Da
  • Monoisotopic mass426.114197 Da
  • ChemSpider ID29418945

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[5-Chlor-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3R)-1-[5-Chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinamine [ACD/IUPAC Name]
(3R)-1-[5-Chloro-6-éthyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinamine [French] [ACD/IUPAC Name]
(3r)-1-[5-Chloro-6-Ethyl-2-(Pyrido[2,3-B]pyrazin-7-Ylsulfanyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]pyrrolidin-3-Amine
3-Pyrrolidinamine, 1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-, (3R)- [ACD/Index Name]
107627-05-4 [RN]
1A0

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

Density: 1.6±0.1 g/cm3
Boiling Point: 726.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±35.7 °C
Index of Refraction: 1.783
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 23.92
Polar Surface Area: 135 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 104.0±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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