ChemSpider 2D Image | atuveciclib | C18H18FN5O2S


  • Molecular FormulaC18H18FN5O2S
  • Average mass387.431 Da
  • Monoisotopic mass387.116516 Da
  • ChemSpider ID58827829
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(S-methylsulfonimidoyl)methyl]phenyl]- [ACD/Index Name]
1414943-94-4 [RN]
4-(4-Fluor-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine [ACD/IUPAC Name]
4-(4-Fluoro-2-méthoxyphényl)-N-{3-[(S-méthylsulfonimidoyl)méthyl]phényl}-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]
atuveciclib [INN]
atuveciclib [Spanish] [INN]
atuvéciclib [French] [INN]
atuveciclibum [Latin] [INN]
атувециклиб [Russian] [INN]

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

10373 [DBID]
63Q7F59W0V [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 109 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 283.0±7.0 cm3

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