ChemSpider 2D Image | 5-Benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one | C31H27N7O

5-Benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one

  • Molecular FormulaC31H27N7O
  • Average mass513.592 Da
  • Monoisotopic mass513.227722 Da
  • ChemSpider ID29409488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-Imidazo[4,5-c]pyridin-4-one, 3-[(1S)-2,3-dihydro-5-[2-(1H-tetrazol-5-yl)phenyl]-1H-inden-1-yl]-2-ethyl-3,5-dihydro-5-(phenylmethyl)- [ACD/Index Name]
5-Benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-on [German] [ACD/IUPAC Name]
5-Benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one [ACD/IUPAC Name]
5-Benzyl-2-éthyl-3-{(1S)-5-[2-(1H-tétrazol-5-yl)phényl]-2,3-dihydro-1H-indén-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one [French] [ACD/IUPAC Name]
14R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 832.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 457.5±37.1 °C
Index of Refraction: 1.747
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 25.60
ACD/KOC (pH 5.5): 157.38
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 29.18
Polar Surface Area: 93 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 372.8±7.0 cm3

Click to predict properties on the Chemicalize site


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