ChemSpider 2D Image | (2r)-2-(5-{3-Chloro-6-((2-Methoxyethyl){[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-2-[methyl(Methylsulfonyl)amino]pyridin-4-Yl}-1,3,4-Oxadiazol-2-Yl)-1-Phenylpropan-2-Amine | C26H35ClN6O4S

(2r)-2-(5-{3-Chloro-6-((2-Methoxyethyl){[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-2-[methyl(Methylsulfonyl)amino]pyridin-4-Yl}-1,3,4-Oxadiazol-2-Yl)-1-Phenylpropan-2-Amine

  • Molecular FormulaC26H35ClN6O4S
  • Average mass563.112 Da
  • Monoisotopic mass562.212891 Da
  • ChemSpider ID24675615
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2r)-2-(5-{3-Chloro-6-((2-Methoxyethyl){[(1s,2s)-2-Methylcyclopropyl]methyl}amino)-2-[methyl(Methylsulfonyl)amino]pyridin-4-Yl}-1,3,4-Oxadiazol-2-Yl)-1-Phenylpropan-2-Amine
Methanesulfonamide, N-[4-[5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[(2-methoxyethyl)[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methyl- [ACD/Index Name]
N-(4-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-3-chlor-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]-2-pyridinyl)-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
N-(4-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]-2-pyridinyl)-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-(4-{5-[(2R)-2-Amino-1-phényl-2-propanyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-méthoxyéthyl){[(1S,2S)-2-méthylcyclopropyl]méthyl}amino]-2-pyridinyl)-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
L00
N-(4-(5-((R)-2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl)-3-chloro-6-((2-methoxyethyl)(((1S,2S)-2-methylcyclopropyl)methyl)amino)pyridin-2-yl)-N-methylmethanesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 729.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±35.7 °C
Index of Refraction: 1.600
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 11.39
ACD/KOC (pH 5.5): 140.86
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.01
ACD/KOC (pH 7.4): 457.77
Polar Surface Area: 136 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 429.3±3.0 cm3

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