ChemSpider 2D Image | 1'-[(2-Benzyl-5-methoxy-2H-indazol-3-yl)carbonyl]-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one | C35H40N4O4

1'-[(2-Benzyl-5-methoxy-2H-indazol-3-yl)carbonyl]-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID80806555

More details:

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

1'-[(2-Benzyl-5-methoxy-2H-indazol-3-yl)carbonyl]-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-on [German] [ACD/IUPAC Name]
1'-[(2-Benzyl-5-methoxy-2H-indazol-3-yl)carbonyl]-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one [ACD/IUPAC Name]
1'-[(2-Benzyl-5-méthoxy-2H-indazol-3-yl)carbonyl]-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one [French] [ACD/IUPAC Name]
Spiro[1,4-benzoxaazacyclotridecine-6(7H),4'-piperidin]-5(2H)-one, 3,4,8,9,10,11-hexahydro-1'-[[5-methoxy-2-(phenylmethyl)-2H-indazol-3-yl]carbonyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 167.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6428.92
ACD/KOC (pH 5.5): 18512.16
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6428.93
ACD/KOC (pH 7.4): 18512.18
Polar Surface Area: 86 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

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