ChemSpider 2D Image | YM 471 | C39H38F2N4O3

YM 471

  • Molecular FormulaC39H38F2N4O3
  • Average mass648.741 Da
  • Monoisotopic mass648.291199 Da
  • ChemSpider ID7985896
  • Double-bond stereo - Double-bond stereo


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

[1,1'-Biphenyl]-2-carboxamide, N-[4-[[(5Z)-5-[2-[4-(dimethylamino)-1-piperidinyl]-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]- [ACD/Index Name]
4'-(4,4-difluoro-5-(2-(4-dimethylaminopiperidino)-2-oxoethylidene)-2,3,4,5-tetrahydro-1H-1-benzoazepine-1-carbonyl)-2-phenylbenzanilide
N-(4-{[(5Z)-5-{2-[4-(Dimethylamino)-1-piperidinyl]-2-oxoethyliden}-4,4-difluor-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}phenyl)-2-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-(4-{[(5Z)-5-{2-[4-(Dimethylamino)-1-piperidinyl]-2-oxoethylidene}-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}phenyl)-2-biphenylcarboxamide [ACD/IUPAC Name]
N-(4-{[(5Z)-5-{2-[4-(Diméthylamino)-1-pipéridinyl]-2-oxoéthylidène}-4,4-difluoro-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]carbonyl}phényl)-2-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-(4-{[(5Z)-5-{2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethylidene}-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}phenyl)biphenyl-2-carboxamide
YM 471
Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylamino-piperidin-1-yl)-2-oxo-ethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl}-phenyl)-amide
CHEMBL307483
N-[4-[(5Z)-5-[2-(4-dimethylaminopiperidin-1-yl)-2-oxoethylidene]-4,4-difluoro2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 772.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 421.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 18.70
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 186.45
ACD/KOC (pH 7.4): 604.99
Polar Surface Area: 73 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 492.6±5.0 cm3

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