ChemSpider 2D Image | N-Benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenyl-3-thiophenecarboxamide | C28H27N3O2S

N-Benzyl-2-[(N-benzyl-β-alanyl)amino]-4-phenyl-3-thiophenecarboxamide

  • Molecular FormulaC28H27N3O2S
  • Average mass469.598 Da
  • Monoisotopic mass469.182404 Da
  • ChemSpider ID35033753

More details:






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

3-Thiophenecarboxamide, 2-[[1-oxo-3-[(phenylmethyl)amino]propyl]amino]-4-phenyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-[(N-benzyl-β-alanyl)amino]-4-phenyl-3-thiophencarboxamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[(N-benzyl-β-alanyl)amino]-4-phenyl-3-thiophenecarboxamide [ACD/IUPAC Name]
N-Benzyl-2-[(N-benzyl-β-alanyl)amino]-4-phényl-3-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-benzyl-2-[(N-benzyl-β-alanyl)amino]-4-phenylthiophene-3-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 694.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 10.82
ACD/KOC (pH 5.5): 33.47
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 495.35
ACD/KOC (pH 7.4): 1532.83
Polar Surface Area: 98 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 380.9±3.0 cm3

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