ChemSpider 2D Image | milfasartan | C30H30N6O3S

milfasartan

  • Molecular FormulaC30H30N6O3S
  • Average mass554.663 Da
  • Monoisotopic mass554.210022 Da
  • ChemSpider ID2310082

More details:

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

148564-47-0 [RN]
2-{[4-Butyl-2-méthyl-6-oxo-5-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1(6H)-pyrimidinyl]méthyl}-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[4-butyl-2-methyl-6-oxo-5-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1(6H)-pyrimidinyl]methyl]-, methyl ester [ACD/Index Name]
8UAL5421CL
Methyl 2-((4-Butyl-2-methyl-6-oxo-5-((2'-(1H-tetrazol-5-yl)-4-biphenylyl)methyl)-1(6H)-pyrimidinyl)methyl)-3-thiophenecarboxylate
methyl 2-[(4-butyl-2-methyl-6-oxo-5-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-1-yl)methyl]thiophene-3-carboxylate
Methyl 2-{[4-butyl-2-methyl-6-oxo-5-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-1(6H)-yl]methyl}thiophene-3-carboxylate
Methyl 2-{[4-butyl-2-methyl-6-oxo-5-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1(6H)-pyrimidinyl]methyl}-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-2-{[4-butyl-2-methyl-6-oxo-5-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1(6H)-pyrimidinyl]methyl}-3-thiophencarboxylat [German] [ACD/IUPAC Name]
milfasartan [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7557 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 289.72
ACD/KOC (pH 5.5): 917.96
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 49.16
ACD/KOC (pH 7.4): 155.77
Polar Surface Area: 142 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

Click to predict properties on the Chemicalize site


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