ChemSpider 2D Image | 3-{[(4-Chlorobenzyl)(2-furylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone | C29H31ClN6O3

3-{[(4-Chlorobenzyl)(2-furylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID2438956

More details:

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

2(1H)-Quinolinone, 3-[[[(4-chlorophenyl)methyl](2-furanylmethyl)amino][1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl]methyl]-7-methoxy- [ACD/Index Name]
3-{[(4-Chlorbenzyl)(2-furylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(4-Chlorobenzyl)(2-furylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-7-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(4-Chlorobenzyl)(2-furylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-7-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04422588 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7178.53
ACD/KOC (pH 5.5): 20028.05
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7178.64
ACD/KOC (pH 7.4): 20028.36
Polar Surface Area: 98 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 418.0±7.0 cm3

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