ChemSpider 2D Image | SB-236057 | C33H34N4O3

SB-236057

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID4470914

More details:






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

(1'-Ethyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylyl]methanone [ACD/IUPAC Name]
180083-49-2 [RN]
Methanone, (1'-ethyl-6,7-dihydrospiro[2H-furo[2,3-f]indole-3(5H),4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]- [ACD/Index Name]
SB236057
SB-236057 [Wiki]
(1'-ethyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-yl]methanone
1'-ethyl-7-({4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}carbonyl)-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-1,4'-piperidine]
SB 236057

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 731.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 9.30
Polar Surface Area: 72 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 403.8±5.0 cm3

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