ChemSpider 2D Image | 3-{(1-Cyclopentyl-1H-tetrazol-5-yl)[(tetrahydro-2-furanylmethyl)(2-thienylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone | C27H32N6O3S

3-{(1-Cyclopentyl-1H-tetrazol-5-yl)[(tetrahydro-2-furanylmethyl)(2-thienylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone

  • Molecular FormulaC27H32N6O3S
  • Average mass520.646 Da
  • Monoisotopic mass520.225647 Da
  • ChemSpider ID2438900

More details:

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

2(1H)-Quinolinone, 3-[(1-cyclopentyl-1H-tetrazol-5-yl)[[(tetrahydro-2-furanyl)methyl](2-thienylmethyl)amino]methyl]-6-methoxy- [ACD/Index Name]
3-{(1-Cyclopentyl-1H-tetrazol-5-yl)[(tetrahydro-2-furanylmethyl)(2-thienylmethyl)amino]methyl}-6-methoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(1-Cyclopentyl-1H-tétrazol-5-yl)[(tétrahydro-2-furanylméthyl)(2-thiénylméthyl)amino]méthyl}-6-méthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(1-Cyclopentyl-1H-tetrazol-5-yl)[(tetrahydro-2-furanylmethyl)(2-thienylmethyl)amino]methyl}-6-methoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04422203 [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: 757.8±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: 412.1±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.93
ACD/KOC (pH 5.5): 2111.97
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.04
ACD/KOC (pH 7.4): 2112.74
Polar Surface Area: 123 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

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