ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide | C20H19N7O4S

N-(1,3-Benzodioxol-5-ylmethyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID28401523

More details:

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

N-(1,3-Benzodioxol-5-ylmethyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acétamide [French] [ACD/IUPAC Name]
Thiazolo[5,4-e]-1,2,4-triazolo[4,3-c]pyrimidine-2(3H)-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-8-(1-pyrrolidinyl)- [ACD/Index Name]
4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.863
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.09
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 40.31
Polar Surface Area: 140 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 84.9±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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