ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(ethyl)amino]-2-oxoethyl 4-(1H-indol-3-yl)butanoate | C27H29N5O5

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(ethyl)amino]-2-oxoethyl 4-(1H-indol-3-yl)butanoate

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID22409556

More details:

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

1H-Indole-3-butanoic acid, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]ethylamino]-2-oxoethyl ester [ACD/Index Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(ethyl)amino]-2-oxoethyl 4-(1H-indol-3-yl)butanoate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(ethyl)amino]-2-oxoethyl-4-(1H-indol-3-yl)butanoat [German] [ACD/IUPAC Name]
4-(1H-Indol-3-yl)butanoate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(éthyl)amino]-2-oxoéthyle [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: 1.677
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.09
ACD/KOC (pH 5.5): 264.53
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.23
ACD/KOC (pH 7.4): 251.13
Polar Surface Area: 138 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 366.1±5.0 cm3

Click to predict properties on the Chemicalize site


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