ChemSpider 2D Image | [(1R,2S,4R)-4-[(5-{4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamate | C25H28ClN5O5S2

[(1R,2S,4R)-4-[(5-{4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamate

  • Molecular FormulaC25H28ClN5O5S2
  • Average mass578.103 Da
  • Monoisotopic mass577.122009 Da
  • ChemSpider ID72380106

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,2S,4R)-4-[(5-{4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl]methyl sulfamate
[(1R,2S,4R)-4-{[5-({4-[(1R)-7-Chlor-1,2,3,4-tetrahydro-1-isochinolinyl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methylsulfamat [German] [ACD/IUPAC Name]
[(1R,2S,4R)-4-{[5-({4-[(1R)-7-Chloro-1,2,3,4-tetrahydro-1-isoquinolinyl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate [ACD/IUPAC Name]
1858276-04-6 [RN]
Sulfamate de [(1R,2S,4R)-4-{[5-({4-[(1R)-7-chloro-1,2,3,4-tétrahydro-1-isoquinoléinyl]-5-méthyl-2-thiényl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2S,4R)-4-[[5-[[4-[(1R)-7-chloro-1,2,3,4-tetrahydro-1-isoquinolinyl]-5-methyl-2-thienyl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester [ACD/Index Name]
((1R,2S,4R)-4-((5-(4-((R)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthiophene-2-carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate
[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
1858276-04-6 (free)
MFCD32062692
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 836.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.5±37.1 °C
Index of Refraction: 1.659
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.01
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 16.40
ACD/KOC (pH 7.4): 151.41
Polar Surface Area: 193 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 392.1±3.0 cm3

Click to predict properties on the Chemicalize site


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