ChemSpider 2D Image | (5S)-3-[3-(Dimethylamino)propyl]-5-(2-phenylethyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2-thioxo-4-imidazolidinone | C30H33N7OS

(5S)-3-[3-(Dimethylamino)propyl]-5-(2-phenylethyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2-thioxo-4-imidazolidinone

  • Molecular FormulaC30H33N7OS
  • Average mass539.694 Da
  • Monoisotopic mass539.246704 Da
  • ChemSpider ID23194025

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-3-[3-(Dimethylamino)propyl]-5-(2-phenylethyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2-thioxo-4-imidazolidinon [German] [ACD/IUPAC Name]
(5S)-3-[3-(Dimethylamino)propyl]-5-(2-phenylethyl)-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2-thioxo-4-imidazolidinone [ACD/IUPAC Name]
(5S)-3-[3-(Diméthylamino)propyl]-5-(2-phényléthyl)-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-2-thioxo-4-imidazolidinone [French] [ACD/IUPAC Name]
(5S)-3-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-2-thioxoimidazolidin-4-one
4-Imidazolidinone, 3-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-thioxo-, (5S)- [ACD/Index Name]
(S)-3-(3-Dimethylamino-propyl)-5-phenethyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-thioxo-imidazolidin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.3±35.7 °C
Index of Refraction: 1.692
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 13.29
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 14.11
Polar Surface Area: 113 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 407.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement