ChemSpider 2D Image | {6-Chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}[(3S)-3-{[3-(dimethylamino)propyl](methyl)amino}-1-pyrrolidinyl]methanone | C35H38Cl2N6O

{6-Chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}[(3S)-3-{[3-(dimethylamino)propyl](methyl)amino}-1-pyrrolidinyl]methanone

  • Molecular FormulaC35H38Cl2N6O
  • Average mass629.622 Da
  • Monoisotopic mass628.248413 Da
  • ChemSpider ID25058872
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{6-Chlor-3-[1-(4-chlorbenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}[(3S)-3-{[3-(dimethylamino)propyl](methyl)amino}-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
{6-Chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}[(3S)-3-{[3-(dimethylamino)propyl](methyl)amino}-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
{6-Chloro-3-[1-(4-chlorobenzyl)-4-phényl-1H-imidazol-5-yl]-1H-indol-2-yl}[(3S)-3-{[3-(diméthylamino)propyl](méthyl)amino}-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl][(3S)-3-[[3-(dimethylamino)propyl]methylamino]-1-pyrrolidinyl]- [ACD/Index Name]
N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine
WW8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 180.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 14.92
ACD/KOC (pH 7.4): 47.56
Polar Surface Area: 60 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 489.7±7.0 cm3

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