ChemSpider 2D Image | YM 218 | C35H38F2N4O4

YM 218

  • Molecular FormulaC35H38F2N4O4
  • Average mass616.697 Da
  • Monoisotopic mass616.286133 Da
  • ChemSpider ID8092672
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Furancarboxamide, N-[4-[[(5Z)-5-(2-[1,4'-bipiperidin]-1'-yl-2-oxoethylidene)-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl- [ACD/Index Name]
N-[4-({(5Z)-5-[2-(1,4'-Bipiperidin-1'-yl)-2-oxoethyliden]-4,4-difluor-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methyl-3-furamid [German] [ACD/IUPAC Name]
N-[4-({(5Z)-5-[2-(1,4'-Bipiperidin-1'-yl)-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methyl-3-furamide [ACD/IUPAC Name]
N-[4-({(5Z)-5-[2-(1,4'-Bipipéridin-1'-yl)-2-oxoéthylidène]-4,4-difluoro-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl}carbonyl)phényl]-2-méthyl-3-furamide [French] [ACD/IUPAC Name]
YM 218
387816-81-1 [RN]
425375-94-6 [RN]
N-[4-({(5Z)-5-[2-(1,4'-bipiperidin-1'-yl)-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methylfuran-3-carboxamide
N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
YM-218

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 22.96
ACD/KOC (pH 7.4): 125.92
Polar Surface Area: 86 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 462.6±5.0 cm3

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