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ChemSpider 2D Image | 1-{5-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl}-4-piperidinecarboxamide | C21H22N6O6

1-{5-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl}-4-piperidinecarboxamide

  • Molecular FormulaC21H22N6O6
  • Average mass454.436 Da
  • Monoisotopic mass454.160095 Da
  • ChemSpider ID23497440

More details:

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

1-{5-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{5-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{5-[2-(1,3-Benzodioxol-5-ylamino)-2-oxoéthyl]-4,6-dioxo-4,5,6,7-tétrahydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3H-Pyrrolo[2,3-d]pyrimidine-5-acetamide, 2-[4-(aminocarbonyl)-1-piperidinyl]-N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-4,6-dioxo- [ACD/Index Name]
1-[5-(Benzo[1,3]dioxol-5-ylcarbamoylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-piperidine-4-carboxylic acid amide
1-{5-[(N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)carbamoyl)methyl]-4,6-dioxo-3-hydro-2-pyrrolino[2,3-d]pyrimidin-2-yl}piperidine-4-carboxamide
1-{5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl}piperidine-4-carboxamide

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: 1.813
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.02
Polar Surface Area: 164 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 82.6±7.0 dyne/cm
Molar Volume: 256.2±7.0 cm3

Click to predict properties on the Chemicalize site


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