ChemSpider 2D Image | 2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylate | C21H21N5O7

2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylate

  • Molecular FormulaC21H21N5O7
  • Average mass455.421 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID22314211

More details:

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

2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylate [ACD/IUPAC Name]
2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl-4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]chinazolin-3a(1H)-carboxylat [German] [ACD/IUPAC Name]
4-Méthyl-1,5-dioxo-2,3,4,5-tétrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylate de 2-(6-amino-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]quinazoline-3a(1H)-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-1,5-dioxo-, 2-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 681.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.6±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.82
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.82
Polar Surface Area: 151 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 288.3±5.0 cm3

Click to predict properties on the Chemicalize site


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