ChemSpider 2D Image | desbutyl-(?-1)-ketobutyl irbesartan | C25H26N6O2

desbutyl-(?-1)-ketobutyl irbesartan

  • Molecular FormulaC25H26N6O2
  • Average mass442.513 Da
  • Monoisotopic mass442.211731 Da
  • ChemSpider ID52083688

More details:

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

1,3-Diazaspiro[4.4]non-1-en-4-one, 2-(3-oxobutyl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-(3-Oxobutyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-on [German] [ACD/IUPAC Name]
2-(3-Oxobutyl)-3-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one [ACD/IUPAC Name]
2-(3-Oxobutyl)-3-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1,3-diazaspiro[4.4]non-1-én-4-one [French] [ACD/IUPAC Name]
208923-65-3 [RN]
desbutyl-(?-1)-ketobutyl irbesartan
DESBUTYL-(ω-1)-KETOBUTYL IRBESARTAN
UNII:8.06E+149

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

805800E144 [DBID]
UNII:805800E144 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 18.51
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.31
Polar Surface Area: 104 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 325.5±7.0 cm3

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