ChemSpider 2D Image | N-[2-{4-[4-(Dimethylamino)-1-piperidinyl]-4-oxobutoxy}-4-(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-biphenylcarboxamide | C39H44N4O4S

N-[2-{4-[4-(Dimethylamino)-1-piperidinyl]-4-oxobutoxy}-4-(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-biphenylcarboxamide

  • Molecular FormulaC39H44N4O4S
  • Average mass664.856 Da
  • Monoisotopic mass664.308350 Da
  • ChemSpider ID8115550

More details:

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

[1,1'-Biphenyl]-2-carboxamide, N-[2-[4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutoxy]-4-[(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-yl)carbonyl]phenyl]- [ACD/Index Name]
N-(2-(4-(4-dimethylaminopiperidino)-4-oxobutoxy)-4-((5,6,7,8-tetrahydro-4H-thieno(3,2-b)azepin-4-yl)carbonyl)phenyl)-(1,1'-biphenyl)-2-carboxamide
N-[2-{4-[4-(Dimethylamino)-1-piperidinyl]-4-oxobutoxy}-4-(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[2-{4-[4-(Dimethylamino)-1-piperidinyl]-4-oxobutoxy}-4-(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-biphenylcarboxamide [ACD/IUPAC Name]
N-[2-{4-[4-(Diméthylamino)-1-pipéridinyl]-4-oxobutoxy}-4-(5,6,7,8-tétrahydro-4H-thiéno[3,2-b]azépin-4-ylcarbonyl)phényl]-2-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[2-{4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutoxy}-4-(5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepin-4-ylcarbonyl)phenyl]biphenyl-2-carboxamide
Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-piperidin-1-yl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
CHEMBL430083

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 191.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 10.01
ACD/KOC (pH 5.5): 26.96
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 279.28
ACD/KOC (pH 7.4): 752.49
Polar Surface Area: 110 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 517.3±5.0 cm3

Click to predict properties on the Chemicalize site


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