ChemSpider 2D Image | 2-[(3-Benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide | C29H28N4O3S

2-[(3-Benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID1609540

More details:

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

2-[(3-Benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(3-Benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide [ACD/IUPAC Name]
2-[(3-Benzyl-8-méthoxy-5-méthyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-éthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4,5-dihydro-8-methoxy-5-methyl-4-oxo-3-(phenylmethyl)-3H-pyrimido[5,4-b]indol-2-yl]thio]-N-(2-ethylphenyl)- [ACD/Index Name]
2-((3-benzyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(2-ethylphenyl)acetamide
2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
866872-94-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3672.36
ACD/KOC (pH 5.5): 12398.75
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3672.46
ACD/KOC (pH 7.4): 12399.09
Polar Surface Area: 101 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 400.2±7.0 cm3

Click to predict properties on the Chemicalize site


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