ChemSpider 2D Image | ABT-046 | C20H22N4O2

ABT-046

  • Molecular FormulaC20H22N4O2
  • Average mass350.414 Da
  • Monoisotopic mass350.174286 Da
  • ChemSpider ID28639580

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-4-[4-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl}acetic acid [ACD/IUPAC Name]
{trans-4-[4-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl}essigsäure [German] [ACD/IUPAC Name]
1031336-60-3 [RN]
ABT-046
Acide {trans-4-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)phényl]cyclohexyl}acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-, trans- [ACD/Index Name]
[1031336-60-3] [RN]
'1031336-60-3 [EINECS]
2-((1R,4R)-4-(4-(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PHENYL)CYCLOHEXYL)ACETIC ACID
2-(trans-4-(4-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)cyclohexyl)acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 15.52
ACD/KOC (pH 5.5): 141.49
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 94 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 252.0±7.0 cm3

Click to predict properties on the Chemicalize site


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