ChemSpider 2D Image | 8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7-ol | C30H29FN6O3

8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7-ol

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID62321894

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 8-[[[(1S)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl](phenylmethyl)amino]methyl]-2,3-dihydro- [ACD/Index Name]
1,4-Dioxino[2,3-g]quinolin-7-ol, 8-[[[(1S)-1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl](phenylmethyl)amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7(6H)-on [German] [ACD/IUPAC Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorbenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]chinolin-7-ol [German] [ACD/IUPAC Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino)méthyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7(6H)-one [French] [ACD/IUPAC Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tétrazol-5-yl]propyl}amino)méthyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoléin-7-ol [French] [ACD/IUPAC Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one [ACD/IUPAC Name]
8-[(Benzyl{(1S)-1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7-ol [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 149.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 866.18
ACD/KOC (pH 5.5): 4371.88
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 869.20
ACD/KOC (pH 7.4): 4387.12
Polar Surface Area: 98 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 396.3±7.0 cm3

Click to predict properties on the Chemicalize site


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