ChemSpider 2D Image | Roniciclib | C18H21F3N4O3S

Roniciclib

  • Molecular FormulaC18H21F3N4O3S
  • Average mass430.444 Da
  • Monoisotopic mass430.128632 Da
  • ChemSpider ID32697590

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-3-{[2-{[4-(S-Cyclopropylsulfonimidoyl)phenyl]amino}-5-(trifluormethyl)-4-pyrimidinyl]oxy}-2-butanol [German] [ACD/IUPAC Name]
(2R,3R)-3-{[2-{[4-(S-Cyclopropylsulfonimidoyl)phenyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]oxy}-2-butanol [ACD/IUPAC Name]
(2R,3R)-3-{[2-{[4-(S-Cyclopropylsulfonimidoyl)phényl]amino}-5-(trifluorométhyl)-4-pyrimidinyl]oxy}-2-butanol [French] [ACD/IUPAC Name]
0W9Q8U337A
1223498-69-8 [RN]
2-Butanol, 3-[[2-[[4-(S-cyclopropylsulfonimidoyl)phenyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]oxy]-, (2R,3R)- [ACD/Index Name]
Roniciclib [INN]
Roniciclib [Spanish] [INN]
Roniciclib [French] [INN]
Roniciclibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9806 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 577.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.0±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.19
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: 117 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

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