ChemSpider 2D Image | N-(2-Bromobenzyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide | C20H17BrN4OS

N-(2-Bromobenzyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide

  • Molecular FormulaC20H17BrN4OS
  • Average mass441.344 Da
  • Monoisotopic mass440.030640 Da
  • ChemSpider ID21780133

More details:

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

Acetamide, N-[(2-bromophenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)thio]- [ACD/Index Name]
N-(2-Brombenzyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(2-Bromobenzyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(2-Bromobenzyl)-2-[(8-méthyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(2-Bromo-benzyl)-2-(6-methyl-9H-2,4,9-triaza-fluoren-1-ylsulfanyl)-acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 711.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.3±32.9 °C
Index of Refraction: 1.755
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1884.28
ACD/KOC (pH 5.5): 7667.07
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1904.21
ACD/KOC (pH 7.4): 7748.19
Polar Surface Area: 96 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


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