ChemSpider 2D Image | N-[2-({2-Amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4-pyrimidinyl}amino)ethyl]-2-naphthalenesulfonamide | C32H38N6O5S

N-[2-({2-Amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4-pyrimidinyl}amino)ethyl]-2-naphthalenesulfonamide

  • Molecular FormulaC32H38N6O5S
  • Average mass618.746 Da
  • Monoisotopic mass618.262451 Da
  • ChemSpider ID10137716

More details:






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

2-Naphthalenesulfonamide, N-[2-[[2-amino-5-[3,4-dihydro-4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl]-6-ethyl-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
N-[2-({2-Amino-6-éthyl-5-[4-(3-méthoxypropyl)-2,2-diméthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4-pyrimidinyl}amino)éthyl]-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-[2-({2-Amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4-pyrimidinyl}amino)ethyl]-2-naphthalenesulfonamide [ACD/IUPAC Name]
N-[2-({2-Amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-4-pyrimidinyl}amino)ethyl]-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-[2-({2-Amino-6-Ethyl-5-[4-(3-Methoxypropyl)-2,2-Dimethyl-3-Oxo-3,4-Dihydro-2h-1,4-Benzoxazin-6-Yl]pyrimidin-4-Yl}amino)ethyl]naphthalene-2-Sulfonamide
diaminopyrimidine renin inhibitor compound, 11
LIX

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

Density: 1.3±0.1 g/cm3
Boiling Point: 918.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 509.4±37.1 °C
Index of Refraction: 1.623
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 60.37
ACD/KOC (pH 5.5): 198.52
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1971.25
ACD/KOC (pH 7.4): 6482.75
Polar Surface Area: 157 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 482.1±3.0 cm3

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