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Search term: TXEHQARJBUILLW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(3-methylbutyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide | C23H31N7O4

N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(3-methylbutyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide

  • Molecular FormulaC23H31N7O4
  • Average mass469.537 Da
  • Monoisotopic mass469.243744 Da
  • ChemSpider ID30614325

More details:






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

1,2,3-Benzotriazine-3(4H)-propanamide, N-(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-4-oxo- [ACD/Index Name]
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(3-methylbutyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamid [German] [ACD/IUPAC Name]
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(3-methylbutyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide [ACD/IUPAC Name]
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-N-(3-méthylbutyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 106.91
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 104.07
Polar Surface Area: 141 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 346.7±7.0 cm3

Click to predict properties on the Chemicalize site






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