ChemSpider 2D Image | N-[(2S)-1-Amino-3-(3,4-difluorophenyl)-2-propanyl]-5-chloro-4-[4-chloro-1-(~13~C,~2~H_3_)methyl(~13~C_3_)-1H-pyrazol-5-yl]-2-furamide | C1413C4H13D3Cl2F2N4O2

N-[(2S)-1-Amino-3-(3,4-difluorophenyl)-2-propanyl]-5-chloro-4-[4-chloro-1-(13C,2H3)methyl(13C3)-1H-pyrazol-5-yl]-2-furamide

  • Molecular FormulaC1413C4H13D3Cl2F2N4O2
  • Average mass436.237 Da
  • Monoisotopic mass435.094086 Da
  • ChemSpider ID107448987

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Furancarboxamide, N-[(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl]-5-chloro-4-[4-chloro-1-(methyl-13C-d3)-1H-pyrazol-5-yl-3,4,5-13C3]- [ACD/Index Name]
N-[(2S)-1-Amino-3-(3,4-difluorophenyl)-2-propanyl]-5-chloro-4-[4-chloro-1-(13C,2H3)methyl(13C3)-1H-pyrazol-5-yl]-2-furamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(3,4-difluorophényl)-2-propanyl]-5-chloro-4-[4-chloro-1-(13C,2H3)méthyl(13C3)-1H-pyrazol-5-yl]-2-furamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(3,4-difluorphenyl)-2-propanyl]-5-chlor-4-[4-chlor-1-(13C,2H3)methyl(13C3)-1H-pyrazol-5-yl]-2-furamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement