ChemSpider 2D Image | Sitravatinib | C33H29F2N5O4S

Sitravatinib

  • Molecular FormulaC33H29F2N5O4S
  • Average mass629.676 Da
  • Monoisotopic mass629.190857 Da
  • ChemSpider ID52083477

More details:






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

1,1-Cyclopropanedicarboxamide, N-[3-fluoro-4-[[2-[5-[[(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy]phenyl]-N'-(4-fluorophenyl)- [ACD/Index Name]
10216
1123837-84-2 [RN]
CWG62Q1VTB
MGCD516
N-(3-Fluor-4-{[2-(5-{[(2-methoxyethyl)amino]methyl}-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-N'-(4-fluorphenyl)-1,1-cyclopropandicarboxamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-4-{[2-(5-{[(2-methoxyethyl)amino]methyl}-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide [ACD/IUPAC Name]
N-(3-Fluoro-4-{[2-(5-{[(2-méthoxyéthyl)amino]méthyl}-2-pyridinyl)thiéno[3,2-b]pyridin-7-yl]oxy}phényl)-N'-(4-fluorophényl)-1,1-cyclopropanedicarboxamide [French] [ACD/IUPAC Name]
sitravatinib [French] [INN]
sitravatinib [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 833.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.9±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 32.07
ACD/KOC (pH 5.5): 132.87
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1058.86
ACD/KOC (pH 7.4): 4387.31
Polar Surface Area: 143 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 444.2±3.0 cm3

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