ChemSpider 2D Image | 6-(Aminoacetyl)-19-methyl-11-(2-phenylethyl)-3,6,11,14,19,20-hexaazatricyclo[13.5.2.0~18,21~]docosa-1(20),18(21)-diene-2,10,13-trione | C27H37N7O4

6-(Aminoacetyl)-19-methyl-11-(2-phenylethyl)-3,6,11,14,19,20-hexaazatricyclo[13.5.2.018,21]docosa-1(20),18(21)-diene-2,10,13-trione

  • Molecular FormulaC27H37N7O4
  • Average mass523.627 Da
  • Monoisotopic mass523.290710 Da
  • ChemSpider ID103849434

More details:

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

3,5-Ethanopyrazolo[3,4-n][1,4,9,12]tetraazacycloheptadecine-7,10,18(11H)-trione, 14-(2-aminoacetyl)-2,4,5,6,8,9,12,13,14,15,16,17-dodecahydro-2-methyl-9-(2-phenylethyl)- [ACD/Index Name]
6-(2-Aminoacétyl)-19-méthyl-11-(2-phényléthyl)-3,6,11,14,19,20-hexaazatricyclo[13.5.2.018,21]docosa-1(20),18(21)-diène-2,10,13-trione [French] [ACD/IUPAC Name]
6-(Aminoacetyl)-19-methyl-11-(2-phenylethyl)-3,6,11,14,19,20-hexaazatricyclo[13.5.2.018,21]docosa-1(20),18(21)-dien-2,10,13-trion [German] [ACD/IUPAC Name]
6-(Aminoacetyl)-19-methyl-11-(2-phenylethyl)-3,6,11,14,19,20-hexaazatricyclo[13.5.2.018,21]docosa-1(20),18(21)-diene-2,10,13-trione [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: 929.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 516.1±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 143.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.12
Polar Surface Area: 143 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 384.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement