ChemSpider 2D Image | Rogaratinib | C23H26N6O3S

Rogaratinib

  • Molecular FormulaC23H26N6O3S
  • Average mass466.556 Da
  • Monoisotopic mass466.178711 Da
  • ChemSpider ID58828032

More details:






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

10372
1443530-05-9 [RN]
2-Piperazinone, 4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methylbenzo[b]thien-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]- [ACD/Index Name]
4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinon [German] [ACD/IUPAC Name]
4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone [ACD/IUPAC Name]
4-{[4-Amino-6-(méthoxyméthyl)-5-(7-méthoxy-5-méthyl-1-benzothiophén-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]méthyl}-2-pipérazinone [French] [ACD/IUPAC Name]
rogaratinib [French] [INN]
rogaratinib [Spanish] [INN]
Rogaratinib [INN]
rogaratinibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

98BSN6N516 [DBID]
UNII:98BSN6N516 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 33.70
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.59
ACD/KOC (pH 7.4): 132.72
Polar Surface Area: 135 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 314.6±7.0 cm3

Click to predict properties on the Chemicalize site






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