ChemSpider 2D Image | 1-[(2-Aminopyridin-4-Yl)methyl]-3-(2,4-Dioxo-1,2-Dihydrothieno[3,4-D]pyrimidin-3(4h)-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid | C22H14F3N5O4S

1-[(2-Aminopyridin-4-Yl)methyl]-3-(2,4-Dioxo-1,2-Dihydrothieno[3,4-D]pyrimidin-3(4h)-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid

  • Molecular FormulaC22H14F3N5O4S
  • Average mass501.438 Da
  • Monoisotopic mass501.071869 Da
  • ChemSpider ID26325220

More details:

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

1-[(2-Aminopyridin-4-Yl)methyl]-3-(2,4-Dioxo-1,2-Dihydrothieno[3,4-D]pyrimidin-3(4h)-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid
1-[(2-Amino-4-pyridinyl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluormethyl)-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-[(2-Amino-4-pyridinyl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[(2-amino-4-pyridinyl)methyl]-3-(1,2-dihydro-2,4-dioxothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)- [ACD/Index Name]
Acide 1-[(2-amino-4-pyridinyl)méthyl]-3-(2,4-dioxo-1,2-dihydrothiéno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluorométhyl)-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

054 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.95
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 159 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 289.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement