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Search term: PNAZPTARVAORJD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N,N-Dimethyl-3-{5-[2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-1-yl}-1-propanamine | C20H23N5O2S

N,N-Dimethyl-3-{5-[2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-1-yl}-1-propanamine

  • Molecular FormulaC20H23N5O2S
  • Average mass397.494 Da
  • Monoisotopic mass397.157257 Da
  • ChemSpider ID128921342

More details:

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

1H-Indole-1-propanamine, N,N-dimethyl-5-[2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]- [ACD/Index Name]
N,N-Dimethyl-3-{5-[2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-1-yl}-1-propanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-3-{5-[2-(methylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-1-yl}-1-propanamine [ACD/IUPAC Name]
N,N-Diméthyl-3-{5-[2-(méthylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-1-yl}-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 9.32
Polar Surface Area: 92 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 293.8±7.0 cm3

Click to predict properties on the Chemicalize site


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