ChemSpider 2D Image | ADSB-FUB-187 | C26H31ClFN5O4S

ADSB-FUB-187

  • Molecular FormulaC26H31ClFN5O4S
  • Average mass564.072 Da
  • Monoisotopic mass563.176941 Da
  • ChemSpider ID65322246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indazole-3-carboximidic acid, 7-chloro-N-[(1S)-1-[(Z)-[[2-[(cyclopropylsulfonyl)amino]ethyl]imino]hydroxymethyl]-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
7-Chlor-N-[(1Z,2S)-1-({2-[(cyclopropylsulfonyl)amino]ethyl}imino)-1-hydroxy-3,3-dimethyl-2-butanyl]-1-(4-fluorbenzyl)-1H-indazol-3-carboximidsäure [German] [ACD/IUPAC Name]
7-Chloro-N-[(1Z,2S)-1-({2-[(cyclopropylsulfonyl)amino]ethyl}imino)-1-hydroxy-3,3-dimethyl-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboximidic acid [ACD/IUPAC Name]
Acide 7-chloro-N-[(1Z,2S)-1-({2-[(cyclopropylsulfonyl)amino]éthyl}imino)-1-hydroxy-3,3-diméthyl-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboximidique [French] [ACD/IUPAC Name]
ADSB-FUB-187

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.9±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 9.78
ACD/KOC (pH 5.5): 60.72
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 138 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 395.9±7.0 cm3

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