ChemSpider 2D Image | Methyl 2-({[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate | C20H19N7O4S

Methyl 2-({[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID26316261

More details:

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

2-({2-[3-Oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acétyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[3-oxo-8-(1-pyrrolidinyl)thiazolo[5,4-e]-1,2,4-triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({[3-oxo-8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
1115914-75-4 [RN]
methyl 2-(2-(3-oxo-8-(pyrrolidin-1-yl)thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido)benzoate
methyl 2-{2-[5-oxo-11-(pyrrolidin-1-yl)-12-thia-3,4,6,8,10-pentaazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamido}benzoate
MFCD02225302

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.801
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 96.04
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.44
Polar Surface Area: 148 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 274.9±7.0 cm3

Click to predict properties on the Chemicalize site


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