ChemSpider 2D Image | N~2~-{4-[6-(3,4-Dihydro-1(2H)-quinolinylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | C36H38N8O5

N2-{4-[6-(3,4-Dihydro-1(2H)-quinolinylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide

  • Molecular FormulaC36H38N8O5
  • Average mass662.737 Da
  • Monoisotopic mass662.296509 Da
  • ChemSpider ID24604652
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4H-1,3-Benzodioxin-6-propanamide, α-[[4-[6-[(3,4-dihydro-1(2H)-quinolinyl)carbonyl]-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl]amino]-N,2,2-trimethyl-, (αS)- [ACD/Index Name]
N2-{4-[6-(3,4-Dihydro-1(2H)-chinolinylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N2-{4-[6-(3,4-Dihydro-1(2H)-quinoléinylcarbonyl)-1H-benzimidazol-1-yl]-6-éthoxy-1,3,5-triazin-2-yl}-3-(2,2-diméthyl-4H-1,3-benzodioxin-6-yl)-N-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
N2-{4-[6-(3,4-Dihydro-1(2H)-quinolinylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide [ACD/IUPAC Name]
N2-{4-[6-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)-1h-Benzimidazol-1-Yl]-6-Ethoxy-1,3,5-Triazin-2-Yl}-3-(2,2-Dimethyl-4h-1,3-Benzodioxin-6-Yl)-N-Methyl-L-Alaninamide
(S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(4-ethoxy-6-(6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)-N-methylpropanamide
5JZ
DEL-B, 14b

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 182.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 553.04
ACD/KOC (pH 5.5): 3188.53
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 558.71
ACD/KOC (pH 7.4): 3221.24
Polar Surface Area: 146 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 476.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement