ChemSpider 2D Image | (4'-Methoxy-2-biphenylyl){5-methyl-6-[2-(4-morpholinyl)ethyl]-6H-thieno[2,3-b]pyrrol-4-yl}methanone | C27H28N2O3S

(4'-Methoxy-2-biphenylyl){5-methyl-6-[2-(4-morpholinyl)ethyl]-6H-thieno[2,3-b]pyrrol-4-yl}methanone

  • Molecular FormulaC27H28N2O3S
  • Average mass460.588 Da
  • Monoisotopic mass460.182068 Da
  • ChemSpider ID28676503

More details:

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

(4'-Methoxy-2-biphenylyl){5-methyl-6-[2-(4-morpholinyl)ethyl]-6H-thieno[2,3-b]pyrrol-4-yl}methanon [German] [ACD/IUPAC Name]
(4'-Methoxy-2-biphenylyl){5-methyl-6-[2-(4-morpholinyl)ethyl]-6H-thieno[2,3-b]pyrrol-4-yl}methanone [ACD/IUPAC Name]
(4'-Méthoxy-2-biphénylyl){5-méthyl-6-[2-(4-morpholinyl)éthyl]-6H-thiéno[2,3-b]pyrrol-4-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4'-methoxy[1,1'-biphenyl]-2-yl)[5-methyl-6-[2-(4-morpholinyl)ethyl]-6H-thieno[2,3-b]pyrrol-4-yl]- [ACD/Index Name]
134327-81-4 [RN]
4-methoxyphenyl-(5-methyl-6-(2-(4-morpholinyl)ethyl)-6H-thieno(2,3-b)pyrrol-4-yl)phenylmethanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2117.48
ACD/KOC (pH 5.5): 6286.86
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5649.48
ACD/KOC (pH 7.4): 16773.46
Polar Surface Area: 72 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 368.9±7.0 cm3

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