ChemSpider 2D Image | 8-[(Benzyl{1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one | C30H29FN6O3

8-[(Benzyl{1-[1-(4-fluorobenzyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one

  • Molecular FormulaC30H29FN6O3
  • Average mass540.588 Da
  • Monoisotopic mass540.228516 Da
  • ChemSpider ID2450758

More details:

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

1,4-Dioxino[2,3-g]quinolin-7(6H)-one, 8-[[[1-[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]propyl](phenylmethyl)amino]methyl]-2,3-dihydro- [ACD/Index Name]
8-[(Benzyl{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{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{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]

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

ASN 05300105 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.0±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: 5.89
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1142.19
ACD/KOC (pH 5.5): 5327.84
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1177.09
ACD/KOC (pH 7.4): 5490.63
Polar Surface Area: 94 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 396.3±7.0 cm3

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