Found 473 results

Search term: MF = 'C_{28}H_{32}N_{6}O_{5}'
ChemSpider 2D Image | 7-{[(2-Methoxybenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one | C28H32N6O5

7-{[(2-Methoxybenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

  • Molecular FormulaC28H32N6O5
  • Average mass532.591 Da
  • Monoisotopic mass532.243408 Da
  • ChemSpider ID2452140

More details:

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

1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-[[[(2-methoxyphenyl)methyl][1-[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]propyl]amino]methyl]- [ACD/Index Name]
7-{[(2-Methoxybenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}[1,3]dioxolo[4,5-g]chinolin-6(5H)-on [German] [ACD/IUPAC Name]
7-{[(2-Méthoxybenzyl){1-[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]propyl}amino]méthyl}[1,3]dioxolo[4,5-g]quinoléin-6(5H)-one [French] [ACD/IUPAC Name]
7-{[(2-Methoxybenzyl){1-[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]propyl}amino]methyl}[1,3]dioxolo[4,5-g]quinolin-6(5H)-one [ACD/IUPAC Name]

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

ASN 05305113 [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: 744.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.1±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 120.86
ACD/KOC (pH 5.5): 1064.89
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.56
ACD/KOC (pH 7.4): 1106.33
Polar Surface Area: 113 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 373.4±7.0 cm3

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