ChemSpider 2D Image | N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-4-[methyl(methylsulfonyl)amino]be nzamide | C40H50N6O8S

N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-4-[methyl(methylsulfonyl)amino]be nzamide

  • Molecular FormulaC40H50N6O8S
  • Average mass774.925 Da
  • Monoisotopic mass774.341064 Da
  • ChemSpider ID71275325

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(4'S,7'R,13'R,16'S)-13'-methyl-4'-(2-methylpropyl)-6',9',12',15'-tetraoxo-7'-(phenylmethyl)spiro[cyclopropane-1,10'-[2]oxa[5,8,11,14]tetraazabicyclo[16.2.2]docosa[18,20,21]trien]-16'-yl] -4-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
N-[(3S,6R,12R,15S)-12-Benzyl-15-isobutyl-6-methyl-4,7,10,13-tetraoxo-17-oxa-5,8,11,14-tetraazaspiro[bicyclo[16.2.2]docosane-9,1'-cyclopropane]-1(20),18,21-trien-3-yl]-4-[methyl(methylsulfonyl)amino]be nzamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 207.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.74
ACD/KOC (pH 5.5): 626.24
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.74
ACD/KOC (pH 7.4): 626.24
Polar Surface Area: 200 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 581.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement