ChemSpider 2D Image | 3-[{1-[4-(Benzyloxy)phenyl]-1H-tetrazol-5-yl}(cyclohexylamino)methyl]-6-chloro-1H-indole-2-carboxylic acid | C30H29ClN6O3

3-[{1-[4-(Benzyloxy)phenyl]-1H-tetrazol-5-yl}(cyclohexylamino)methyl]-6-chloro-1H-indole-2-carboxylic acid

  • Molecular FormulaC30H29ClN6O3
  • Average mass557.043 Da
  • Monoisotopic mass556.198975 Da
  • ChemSpider ID76742536

More details:

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

1H-Indole-2-carboxylic acid, 6-chloro-3-[(cyclohexylamino)[1-[4-(phenylmethoxy)phenyl]-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
3-[{1-[4-(Benzyloxy)phenyl]-1H-tetrazol-5-yl}(cyclohexylamino)methyl]-6-chlor-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
3-[{1-[4-(Benzyloxy)phenyl]-1H-tetrazol-5-yl}(cyclohexylamino)methyl]-6-chloro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-[{1-[4-(benzyloxy)phényl]-1H-tétrazol-5-yl}(cyclohexylamino)méthyl]-6-chloro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.9±37.1 °C
Index of Refraction: 1.714
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 183.04
ACD/KOC (pH 5.5): 335.40
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 42.62
ACD/KOC (pH 7.4): 78.09
Polar Surface Area: 118 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 388.3±7.0 cm3

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