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-mesitylacetamide | C30H30N4O3S

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

  • Molecular FormulaC30H30N4O3S
  • Average mass526.649 Da
  • Monoisotopic mass526.203857 Da
  • ChemSpider ID1609542

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-mesitylacetamid [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-mesitylacetamide [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-mésitylacétamide [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-(2,4,6-trimethylphenyl)- [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-mesitylacetamide
2-({3-benzyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
866872-96-0 [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: 1.655
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6021.59
ACD/KOC (pH 5.5): 17661.80
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6025.19
ACD/KOC (pH 7.4): 17672.34
Polar Surface Area: 101 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 414.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement