ChemSpider 2D Image | 2-{(1-{[(4-Methylphenyl)sulfonyl]methyl}-1H-tetrazol-5-yl)[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline | C26H24F3N5O2S

2-{(1-{[(4-Methylphenyl)sulfonyl]methyl}-1H-tetrazol-5-yl)[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC26H24F3N5O2S
  • Average mass527.561 Da
  • Monoisotopic mass527.160278 Da
  • ChemSpider ID2480241

More details:

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

2-{(1-{[(4-Methylphenyl)sulfonyl]methyl}-1H-tetrazol-5-yl)[4-(trifluormethyl)phenyl]methyl}-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-{(1-{[(4-Méthylphényl)sulfonyl]méthyl}-1H-tétrazol-5-yl)[4-(trifluorométhyl)phényl]méthyl}-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-{(1-{[(4-Methylphenyl)sulfonyl]methyl}-1H-tetrazol-5-yl)[4-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-2-[[1-[[(4-methylphenyl)sulfonyl]methyl]-1H-tetrazol-5-yl][4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

ASN 07879579 [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: 704.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 978.94
ACD/KOC (pH 5.5): 4776.52
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1004.90
ACD/KOC (pH 7.4): 4903.17
Polar Surface Area: 89 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 377.2±7.0 cm3

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