Found 1 result

Search term: SKLAQDNYYXAFGK-QWDXWUACSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(1-{(3R)-1-[(2E)-4-(Dimethylamino)-2-butenoyl]-3-azepanyl}-7-methyl-1H-benzimidazol-2-yl)-2-methylisonicotinamide | C27H34N6O2

N-(1-{(3R)-1-[(2E)-4-(Dimethylamino)-2-butenoyl]-3-azepanyl}-7-methyl-1H-benzimidazol-2-yl)-2-methylisonicotinamide

  • Molecular FormulaC27H34N6O2
  • Average mass474.598 Da
  • Monoisotopic mass474.274323 Da
  • ChemSpider ID59052941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{N}-[1-[(3{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
1508250-74-5 [RN]
4-Pyridinecarboxamide, N-[1-[(3R)-1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-7-methyl-1H-benzimidazol-2-yl]-2-methyl- [ACD/Index Name]
N-(1-{(3R)-1-[(2E)-4-(Dimethylamino)-2-butenoyl]-3-azepanyl}-7-methyl-1H-benzimidazol-2-yl)-2-methylisonicotinamid [German] [ACD/IUPAC Name]
N-(1-{(3R)-1-[(2E)-4-(Dimethylamino)-2-butenoyl]-3-azepanyl}-7-methyl-1H-benzimidazol-2-yl)-2-methylisonicotinamide [ACD/IUPAC Name]
N-(1-{(3R)-1-[(2E)-4-(Diméthylamino)-2-butenoyl]-3-azépanyl}-7-méthyl-1H-benzimidazol-2-yl)-2-méthylisonicotinamide [French] [ACD/IUPAC Name]
N-[1-[(3R)-1-[(2E)-4-(Dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-7-methyl-1H-benzimidazol-2-yl]-2-methyl-4-pyridinecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 6.97
ACD/KOC (pH 7.4): 74.74
Polar Surface Area: 83 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 390.3±7.0 cm3

Click to predict properties on the Chemicalize site


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