ChemSpider 2D Image | Sufugolix | C36H31F2N5O4S


  • Molecular FormulaC36H31F2N5O4S
  • Average mass667.724 Da
  • Monoisotopic mass667.206482 Da
  • ChemSpider ID2302081

More details:

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

1-{4-[5-{[Benzyl(methyl)amino]methyl}-1-(2,6-difluorbenzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyharnstoff [German] [ACD/IUPAC Name]
1-{4-[5-{[Benzyl(methyl)amino]methyl}-1-(2,6-difluorobenzyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea [ACD/IUPAC Name]
1-{4-[5-{[Benzyl(méthyl)amino]méthyl}-1-(2,6-difluorobenzyl)-2,4-dioxo-3-phényl-1,2,3,4-tétrahydrothiéno[2,3-d]pyrimidin-6-yl]phényl}-3-méthoxyurée [French] [ACD/IUPAC Name]
308831-61-0 [RN]
sufugolix [Spanish] [INN]
sufugolix [French] [INN]
Sufugolix [INN]
sufugolixum [Latin] [INN]

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

TAK 013 [DBID]
TAK-013 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 179.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 522.28
ACD/KOC (pH 5.5): 1235.46
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 9858.42
ACD/KOC (pH 7.4): 23320.19
Polar Surface Area: 122 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 482.6±3.0 cm3

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