ChemSpider 2D Image | BMS-665053 | C16H14Cl3F2N3O2

BMS-665053

  • Molecular FormulaC16H14Cl3F2N3O2
  • Average mass424.657 Da
  • Monoisotopic mass423.011963 Da
  • ChemSpider ID24627298

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-5-Chloro-1-(1-cyclopropylethyl)-3-(2,6-dichloro-4-(difluoromethoxy)phenylamino)-pyrazin-2(1H)-one
1173435-64-7 [RN]
2(1H)-Pyrazinone, 5-chloro-1-[(1S)-1-cyclopropylethyl]-3-[[2,6-dichloro-4-(difluoromethoxy)phenyl]amino]- [ACD/Index Name]
5-Chlor-1-[(1S)-1-cyclopropylethyl]-3-{[2,6-dichlor-4-(difluormethoxy)phenyl]amino}-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
5-Chloro-1-[(1S)-1-cyclopropylethyl]-3-[[2,6-dichloro-4-(difluoromethoxy)phenyl]amino]-2(1H)-pyrazinone
5-Chloro-1-[(1S)-1-cyclopropylethyl]-3-{[2,6-dichloro-4-(difluoromethoxy)phenyl]amino}-2(1H)-pyrazinone [ACD/IUPAC Name]
5-Chloro-1-[(1S)-1-cyclopropyléthyl]-3-{[2,6-dichloro-4-(difluorométhoxy)phényl]amino}-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
BMS-665053
MFCD28977961
(S)-5-chloro-1-(1-cyclopropylethyl)-3-((2,6-dichloro-4-(difluoromethoxy)phenyl)amino)pyrazin-2(1H)-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 466.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.35
ACD/KOC (pH 5.5): 3379.30
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 597.35
ACD/KOC (pH 7.4): 3379.30
Polar Surface Area: 54 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 261.4±7.0 cm3

Click to predict properties on the Chemicalize site


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