ChemSpider 2D Image | N-{[7-Amino-8-(3,4-difluorobenzyl)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-1-cyclopropylmethanesulfonamide | C22H26F2N2O2S

N-{[7-Amino-8-(3,4-difluorobenzyl)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-1-cyclopropylmethanesulfonamide

  • Molecular FormulaC22H26F2N2O2S
  • Average mass420.516 Da
  • Monoisotopic mass420.168304 Da
  • ChemSpider ID58881789

More details:

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

Cyclopropanemethanesulfonamide, N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-2-naphthalenyl]methyl]- [ACD/Index Name]
N-{[7-Amino-8-(3,4-difluorbenzyl)-5,6,7,8-tetrahydro-2-naphthalinyl]methyl}-1-cyclopropylmethansulfonamid [German] [ACD/IUPAC Name]
N-{[7-Amino-8-(3,4-difluorobenzyl)-5,6,7,8-tétrahydro-2-naphtalényl]méthyl}-1-cyclopropylméthanesulfonamide [French] [ACD/IUPAC Name]
N-{[7-Amino-8-(3,4-difluorobenzyl)-5,6,7,8-tetrahydro-2-naphthalenyl]methyl}-1-cyclopropylmethanesulfonamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.50
Polar Surface Area: 81 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 322.5±3.0 cm3

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