ChemSpider 2D Image | CHF-6001 | C30H30Cl2F2N2O8S

CHF-6001

  • Molecular FormulaC30H30Cl2F2N2O8S
  • Average mass687.536 Da
  • Monoisotopic mass686.106812 Da
  • ChemSpider ID31137693

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluormethoxy)phenyl]-2-(3,5-dichlor-1-oxido-4-pyridinyl)ethyl-3-(cyclopropylmethoxy)-4-[(methylsulfonyl)amino]benzoat [German] [ACD/IUPAC Name]
(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-4-pyridinyl)ethyl 3-(cyclopropylmethoxy)-4-[(methylsulfonyl)amino]benzoate [ACD/IUPAC Name]
1239278-59-1 [RN]
3-(Cyclopropylméthoxy)-4-[(méthylsulfonyl)amino]benzoate de (1S)-1-[3-(cyclopropylméthoxy)-4-(difluorométhoxy)phényl]-2-(3,5-dichloro-1-oxydo-4-pyridinyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(cyclopropylmethoxy)-4-[(methylsulfonyl)amino]-, (1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-4-pyridinyl)ethyl ester [ACD/Index Name]
CHF-6001
CHF 6001
MFCD28502112

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

0984EU6E2F [DBID]
UNII:0984EU6E2F [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: 811.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.631
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1662.61
ACD/KOC (pH 5.5): 6996.26
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 707.37
ACD/KOC (pH 7.4): 2976.60
Polar Surface Area: 134 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 451.7±7.0 cm3

Click to predict properties on the Chemicalize site


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