ChemSpider 2D Image | N-[(1s,2s)-2-Amino-1-(3-Thienylmethyl)hexyl]-2-({[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-6-[methyl(Methylsulfonyl)amino]isonicotinamide | C24H37N5O3S2

N-[(1s,2s)-2-Amino-1-(3-Thienylmethyl)hexyl]-2-({[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-6-[methyl(Methylsulfonyl)amino]isonicotinamide

  • Molecular FormulaC24H37N5O3S2
  • Average mass507.712 Da
  • Monoisotopic mass507.233795 Da
  • ChemSpider ID20572527

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Pyridinecarboxamide, N-[(1S,2S)-2-amino-1-(3-thienylmethyl)hexyl]-2-[[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
N-[(1s,2s)-2-Amino-1-(3-Thienylmethyl)hexyl]-2-({[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-6-[methyl(Methylsulfonyl)amino]isonicotinamide
N-[(2S,3S)-3-Amino-1-(3-thienyl)-2-heptanyl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-3-Amino-1-(3-thienyl)-2-heptanyl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide [ACD/IUPAC Name]
N-[(2S,3S)-3-Amino-1-(3-thiényl)-2-heptanyl]-2-({[(1S,2S)-2-méthylcyclopropyl]méthyl}amino)-6-[méthyl(méthylsulfonyl)amino]isonicotinamide [French] [ACD/IUPAC Name]
isonicotinamide, 19
QIN

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: 1.601
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.88
Polar Surface Area: 154 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 404.4±3.0 cm3

Click to predict properties on the Chemicalize site


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