ChemSpider 2D Image | 6-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one | C20H19ClN6OS

6-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one

  • Molecular FormulaC20H19ClN6OS
  • Average mass426.922 Da
  • Monoisotopic mass426.102966 Da
  • ChemSpider ID35033566

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindol-1-one, 6-[[4-[(3R)-3-amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
6-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chlor-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-on [German] [ACD/IUPAC Name]
6-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one [ACD/IUPAC Name]
6-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-éthyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one [French] [ACD/IUPAC Name]
6-({4-[(3r)-3-Aminopyrrolidin-1-Yl]-5-Chloro-6-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl}sulfanyl)-1h-Isoindol-1-One
19X

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

Density: 1.7±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.826
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 79.42
Polar Surface Area: 126 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 258.4±7.0 cm3

Click to predict properties on the Chemicalize site


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