ChemSpider 2D Image | [4-(Adamantan-1-yl)-1-piperazinyl][3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanone | C25H34N4O2S

[4-(Adamantan-1-yl)-1-piperazinyl][3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanone

  • Molecular FormulaC25H34N4O2S
  • Average mass454.628 Da
  • Monoisotopic mass454.240234 Da
  • ChemSpider ID21593833

More details:

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

[4-(Adamantan-1-yl)-1-piperazinyl][3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanon [German] [ACD/IUPAC Name]
[4-(Adamantan-1-yl)-1-piperazinyl][3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanone [ACD/IUPAC Name]
[4-(Adamantan-1-yl)-1-pipérazinyl][3-amino-4-(méthoxyméthyl)-6-méthylthiéno[2,3-b]pyridin-2-yl]méthanone [French] [ACD/IUPAC Name]
[4-(Adamantan-1-yl)piperazin-1-yl][3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]methanone
Methanone, [3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl](4-tricyclo[3.3.1.13,7]dec-1-yl-1-piperazinyl)- [ACD/Index Name]
(4-Adamantan-1-yl-piperazin-1-yl)-(3-amino-4-methoxymethyl-6-methyl-thieno[2,3-b]pyridin-2-yl)-methanone
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl][4-(tricyclo[3.3.1.13,7]dec-1-yl)piperazin-1-yl]methanone
4-adamantanylpiperazinyl 3-amino-4-(methoxymethyl)-6-methylthiopheno[2,3-b]pyridin-2-yl ketone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.8±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 22.94
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 241.92
ACD/KOC (pH 7.4): 1677.81
Polar Surface Area: 100 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

Click to predict properties on the Chemicalize site


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