ChemSpider 2D Image | N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-pentylpropanamide | C22H30N6O4S

N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-pentylpropanamide

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID22096888

More details:






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

N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-pentylpropanamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-pentylpropanamide [ACD/IUPAC Name]
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-3-(4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl)-N-pentylpropanamide [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-3(4H)-propanamide, N-(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-4-oxo-N-pentyl- [ACD/Index Name]

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: 1.667
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: -0.30
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 87.52
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.55
ACD/KOC (pH 7.4): 84.99
Polar Surface Area: 157 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 341.3±7.0 cm3

Click to predict properties on the Chemicalize site


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