ChemSpider 2D Image | (6R,10S)-6-Isopropyl-4-methyl-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide | C24H34N6O6

(6R,10S)-6-Isopropyl-4-methyl-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide

  • Molecular FormulaC24H34N6O6
  • Average mass502.563 Da
  • Monoisotopic mass502.253998 Da
  • ChemSpider ID80820459

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,10S)-6-Isopropyl-4-methyl-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecin-10-carboxamid [German] [ACD/IUPAC Name]
(6R,10S)-6-Isopropyl-4-methyl-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-10-carboxamide [ACD/IUPAC Name]
(6R,10S)-6-Isopropyl-4-méthyl-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)éthyl]-3,4,5,6,7,8,9,10,11,12-décahydro-2H-1,4,7,11-benzoxatriazacyclotétradécine-10-carboxamide [French] [ACD/IUPAC Name]
2H-1,4,7,11-Benzoxatriazacyclotetradecine-10-carboxamide, 3,4,5,6,7,8,9,10,11,12-decahydro-4-methyl-6-(1-methylethyl)-5,8,12-trioxo-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-, (6R,10S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 967.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 538.9±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.55
Polar Surface Area: 149 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 418.8±3.0 cm3

Click to predict properties on the Chemicalize site


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