Found 597 results

Search term: MF = 'C_{26}H_{26}N_{6}O_{3}S'
ChemSpider 2D Image | 3-({[(1-Benzyl-1H-tetrazol-5-yl)methyl](2-thienylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone | C26H26N6O3S

3-({[(1-Benzyl-1H-tetrazol-5-yl)methyl](2-thienylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone

  • Molecular FormulaC26H26N6O3S
  • Average mass502.588 Da
  • Monoisotopic mass502.178711 Da
  • ChemSpider ID1209266

More details:

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

2(1H)-Quinolinone, 6,7-dimethoxy-3-[[[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl](2-thienylmethyl)amino]methyl]- [ACD/Index Name]
3-({[(1-Benzyl-1H-tetrazol-5-yl)methyl](2-thienylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({[(1-Benzyl-1H-tétrazol-5-yl)méthyl](2-thiénylméthyl)amino}méthyl)-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({[(1-Benzyl-1H-tetrazol-5-yl)methyl](2-thienylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05298738 [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: 747.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.97
ACD/KOC (pH 5.5): 1812.42
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.52
ACD/KOC (pH 7.4): 1823.65
Polar Surface Area: 123 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 371.5±7.0 cm3

Click to predict properties on the Chemicalize site


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