ChemSpider 2D Image | N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-1-(4-morpholinyl)cyclohexanecarboxamide | C38H50N6O7

N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-1-(4-morpholinyl)cyclohexanecarboxamide

  • Molecular FormulaC38H50N6O7
  • Average mass702.840 Da
  • Monoisotopic mass702.374084 Da
  • ChemSpider ID78872277

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[(10'R,13'S,16'S)-13'-methyl-6',9',12',15'-tetraoxo-10'-(phenylmethyl)spiro[cyclopropane-1,7'-[2]oxa[5,8,11,14]tetraazabicyclo[16.2.2]docosa[18,20,21]trien]-16'-yl]-1-(4-morp holinyl)- [ACD/Index Name]
N-[(10R,13S,16S)-10-Benzyl-13-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-7,1'-cyclopropane]-1(20),18,21-trien-16-yl]-1-(4-morpholinyl)cyclohexanecarboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1071.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 601.7±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 189.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 5.58
ACD/KOC (pH 5.5): 85.02
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.76
ACD/KOC (pH 7.4): 270.52
Polar Surface Area: 167 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 537.4±5.0 cm3

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